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1-[1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea

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Identification
Molecular formula
C16H20N6O3S2
CAS number
170632-47-0
IUPAC name
1-[1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea
State
State

This compound is typically a solid at room temperature. It is stable under standard conditions and generally non-reactive unless in the presence of strong oxidizing agents.

Melting point (Celsius)
185.00
Melting point (Kelvin)
458.15
Boiling point (Celsius)
465.15
Boiling point (Kelvin)
738.30
General information
Molecular weight
435.56g/mol
Molar mass
435.5560g/mol
Density
1.3200g/cm3
Appearence

The compound typically appears as an off-white to beige crystalline powder. It is usually odorless and has a fine granular texture. The exact color may vary slightly depending on purity and particle size.

Comment on solubility

Solubility of 1-[1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea

The solubility of the compound 1-[1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea, represented by the formula C16H20N6O3S2, exhibits several interesting characteristics influenced by its unique structure.

Factors Affecting Solubility:

  • Polarity: The presence of polar functional groups, such as urea and sulfonamides, can enhance solubility in polar solvents.
  • Hydrogen Bonding: This compound is likely to engage in hydrogen bonding due to the amine and urea groups, which could facilitate dissolution in water.
  • Aromatic Groups: The benzyl and pyridyl moieties contribute to hydrophobic interactions that may affect overall solubility in various solvents.

While the specific solubility value in common solvents is not readily available, compounds of similar structure typically show a range of solubility characteristics:

  • High solubility in water: If predominantly polar.
  • Moderate to low solubility in organic solvents: If predominantly nonpolar or hydrophobic.

Understanding the solubility is critical, not only for practical applications but also for predicting the compound's behavior in biological systems. As a general rule, it can be concluded that the solubility of this compound will depend significantly on the solvent choice and temperature conditions, making it a fascinating subject for further exploration.

Interesting facts

Interesting Facts about 1-[1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea

This compound, known for its intricate structure and pharmaceutical relevance, boasts various intriguing characteristics:

  • Pharmacological Applications: The compound is often investigated for its potential medicinal properties. Its structural components suggest that it might interact effectively with biological targets, particularly in antineoplastic (anti-cancer) and antimicrobial fields.
  • Diverse Functional Groups: The presence of both pyridyl and piperazine moieties contributes to its biological activity by enhancing lipophilicity and improving receptor binding.
  • Sulfanyl and Thiadiazole Link: The thiadiazole part of the compound can act as a bioisostere for carboxylic acids, potentially aiding in the modification of the compound’s physicochemical properties. The sulfanyl group also introduces additional functional versatility, enhancing the compound’s reactivity.
  • Structural Complexity: With a multi-layered structure, this compound exemplifies the significance of intricate molecular design in drug discovery. The benzyl group, urea linkage, and thiadiazole create a rich framework for interaction with biological systems.
  • Research Opportunities: This compound presents numerous avenues for research, including potential derivatives that could yield even more potent biological activities or reduced toxicity profiles.

As we delve deeper into the world of synthetic chemistry, compounds like 1-[1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea remind us of the profound connections between molecular design and biological function. Their complex structures often hold the key to developing new therapies.