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5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

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Identification
Molecular formula
C10H9ClN6S
CAS number
42971-09-5
IUPAC name
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
State
State

At room temperature, the compound is typically found in a solid crystalline form.

Melting point (Celsius)
232.00
Melting point (Kelvin)
505.15
Boiling point (Celsius)
557.00
Boiling point (Kelvin)
830.15
General information
Molecular weight
267.73g/mol
Molar mass
267.7190g/mol
Density
1.5800g/cm3
Appearence

The compound typically appears as a crystalline solid. Its color can range depending on its purity but is often pale yellow to off-white.

Comment on solubility

Solubility of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

The solubility of the compound 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (C10H9ClN6S) is influenced by several factors including its structural characteristics, polarity, and the presence of functional groups.

Considering its structure, we can assess its solubility in various solvents:

  • Polar solvents: Compounds containing amine and imidazole functionalities tend to exhibit better solubility in polar solvents such as water and methanol due to strong hydrogen bonding interactions.
  • Non-polar solvents: The presence of the benzothiadiazole moiety may lead to some degree of compatibility with non-polar solvents; however, solubility might be relatively lower compared to polar solvents.
  • Dimensional Analysis: The molecular weight and lipophilicity also play significant roles in solubility—higher molecular weight may decrease solubility.

As a general rule, one might observe that the **more polar the solvent**, the greater the potential for dissolution of polar compounds.
In summary, while detailed experimental data on the solubility of this specific compound may not be readily available, it can be anticipated that it will exhibit greater solubility in polar solvents compared to non-polar ones due to its functional groups.

Interesting facts

Interesting Facts about 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

This compound is an intriguing member of the benzothiadiazole family, known for its rich biological activity and potential applications in various fields. Here are some engaging facts about this compound:

  • Bioactivity: Compounds like 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine have been studied for their potential in medicinal chemistry. Their unique structure often allows them to interact with biological targets, making them suitable candidates for pharmaceuticals.
  • Synthetic Pathways: The synthesis of this compound can involve sophisticated organic reactions, showcasing the beauty and complexity of synthetic chemistry. This can include nucleophilic substitutions and cyclization reactions to form the imidazole moiety, as part of its structure.
  • Pharmacophore Considerations: The compound’s structure is believed to act as a pharmacophore — a part of the molecule responsible for its biological activity. Elements such as the 5-chloro and 2,1,3-benzothiadiazole groups contribute significantly to its interaction with specific receptors.
  • Research Applications: Beyond medicinal applications, compounds like this are often explored in materials science, particularly in the development of novel organic semiconductors, due to their electronic properties.
  • Environmental Impact: The role of similar benzothiadiazole derivatives in environmental chemistry is also a topic of interest, particularly in the study of their persistence and biodegradability in various ecosystems.

In summary, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine exhibits a fascinating combination of synthetic complexity and biological potential, making it a valuable subject for further research in both pharmacology and material sciences. As scientists continue to unravel its mysteries, we can expect to discover even more exciting applications.

Synonyms
tizanidine
51322-75-9
Sirdalud
Ternelin
Tizanidina
Zanaflex
Tizanidinum
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Tizanidinum [INN-Latin]
Tizanidina [INN-Spanish]
5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole
UNII-6AI06C00GW
Tizanidine (INN)
BRN 0618691
6AI06C00GW
DTXSID9023679
CHEBI:63629
CHEMBL1079
2,1,3-Benzothiadiazole-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
DTXCID203679
2,1,3-Benzothiadiazole, 5-chloro-4-(2-imidazolin-2-ylamino)-
NCGC00160529-01
TIZANIDINE [INN]
Tizanidinum (INN-Latin)
Tizanidina (INN-Spanish)
Tizanidine [INN:BAN]
5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-benzo[c][1,2,5]thiadiazol-4-amine
Sirdalud (TN)
CAS-51322-75-9
Tizanidin
Tizanidine?
SR-01000765392
5-chloro-4-(2-imidazolin-2-yl-amino)-2,1,3-benzothiadiazole
2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
Tizanidine (Standard)
TIZANIDINE [MI]
TIZANIDINE [VANDF]
TIZANIDINE [WHO-DD]
SCHEMBL60334
MLS006011763
BIDD:GT0580
GTPL7308
HY-B0194R
M03BX02
HMS2089B03
HMS3743M03
HMS3886K10
BCP12884
HY-B0194
NXB33119
Tox21_111876
BDBM50240671
EX-A10652
MFCD00865192
s5537
STK711168
AKOS005530682
Tox21_111876_1
CCG-266992
DB00697
SDCCGSBI-0633792.P001
5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzo[c][1,2,5]thiadiazol-4-amine
NCGC00160529-02
NCGC00160529-03
NCGC00160529-04
NCGC00160529-05
NCGC00160529-06
NCGC00160529-14
SMR000857268
TS-09583
DB-051946
NS00004621
C07452
D08611
F20799
AB00698468-04
AB00698468-06
AB00698468_07
EN300-27019999
L001084
Q423538
SR-01000765392-2
BRD-K06335600-003-16-5
BRD-K06335600-003-19-9
BRD-K06335600-003-20-7
5-chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiadiazole
(5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
N-(5-Chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine #