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Tertatolol

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Identification
Molecular formula
C13H21N3O3S
CAS number
61617-00-3
IUPAC name
1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
State
State

Tertatolol is typically a solid under standard conditions of temperature and pressure (25°C and 1 atm).

Melting point (Celsius)
60.00
Melting point (Kelvin)
333.15
Boiling point (Celsius)
345.50
Boiling point (Kelvin)
618.65
General information
Molecular weight
322.43g/mol
Molar mass
322.4260g/mol
Density
1.2300g/cm3
Appearence

Tertatolol typically appears as a white to off-white solid. It is usually found in its crystalline form when pure but may be formulated differently when used in pharmaceutical applications.

Comment on solubility

Solubility of 1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

The compound 1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, with the chemical formula C13H21N3O3S, exhibits unique solubility characteristics influenced by its structural components.

Factors Influencing Solubility

Several factors may affect the solubility of this compound, including:

  • Polarity: The presence of polar functional groups, such as hydroxyl (–OH) and amine (–NH2), suggests higher solubility in polar solvents like water.
  • Hydrogen Bonding: The ability to form hydrogen bonds can enhance solubility in aqueous environments, facilitating interactions with water molecules.
  • Molecular Size: The relatively large molecular size may impact how well it dissolves in various solvents.

As a result, this compound is likely to be:

  • Moderately soluble in water due to its polar functional groups.
  • More soluble in organic solvents like ethanol or dimethyl sulfoxide (DMSO), which can stabilize its molecular structure and reduce steric hindrance.

Overall, the solubility profile of this compound is intriguing, making it a candidate for further exploration in pharmaceutical applications, where solubility can significantly influence bioavailability.

Interesting facts

Interesting Facts about 1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

This compound, with its unique structure, offers fascinating insights into the world of medicinal chemistry and drug development. Below are some noteworthy aspects:

  • Complex Structure: The presence of both a tert-butylamino group and a morpholino-thiadiazole moiety provides versatility in its chemical interactions and potential biological activities.
  • Biological Relevance: Compounds with similar structures have been explored for their roles as pharmacological agents. The thiadiazole ring is often linked to antimicrobial and antiparasitic properties, making this compound a candidate for further research in therapeutic applications.
  • Pharmacophore Insights: Understanding the pharmacophore (the part of the molecule responsible for its biological activity) is crucial. This compound’s ability to interact with specific receptors can lead to targeted drug design.
  • Potential Applications: Research into compounds like this one is vital in areas such as cancer treatment, infectious diseases, and neurological disorders. The unique functionalities could offer new pathways for designing effective treatments.
  • Research Trends: Scientists are increasingly focused on creating multi-functional compounds that can target multiple biological pathways simultaneously. This substance embodies that trend.

In summary, the exploration of 1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol could unlock new avenues in medicinal chemistry. Its intriguing composition and potential uses make it an essential subject for further scientific inquiry.

Synonyms
racemic-Timolol
29023-48-1
1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol
1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CHEBI:39465
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-
1-(tert-Butylamino)-3-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol
1-(tert-butylamino)-3-[[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol
(+-)-Timolol
Racemic timolol
(S)-Timolol; Arutimol; L-Timolol
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-
EINECS 249-374-9
EINECS 256-299-5
(+/-)-Timolol
CHEMBL173706
SCHEMBL1587691
BDBM25767
BLJRIMJGRPQVNF-UHFFFAOYSA-
DTXSID20860380
1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
BBL024494
STK087021
AKOS005393956
CCG-205263
SDCCGSBI-0051156.P002
(1)-1-(tert-Butylamino)-3-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol
NCGC00016798-04
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)-oxy)-, (+-)-
DB-214558
DB-278603
NS00000575
EN300-296016
L000916
BRD-A31916785-103-01-0
tert -butylamino-3-(4-morpholino-1,2,5-thiadiazol-3-yloxy)propan-2-ol
1-(tert-Butylamino)-3-([4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy)-2-propanol #
tert-butyl(2-hydroxy-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propyl)amine
InChI=1/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3