CAS 1142202-89-8

5-[[(3-Fluorophenyl)amino]carbonyl]-1,3,4-thiadiazole-2-butanoic acid

Description:

5-[[(3-Fluorophenyl)amino]carbonyl]-1,3,4-thiadiazole-2-butanoic acid is a chemical compound characterized by its unique structure, which includes a thiadiazole ring, an amino group, and a carboxylic acid functional group. The presence of the 3-fluorophenyl moiety suggests that it may exhibit specific electronic and steric properties, potentially influencing its reactivity and biological activity. This compound is likely to be a solid at room temperature, with moderate solubility in polar solvents due to the carboxylic acid group. The thiadiazole ring contributes to its potential as a pharmacophore, making it of interest in medicinal chemistry for developing therapeutic agents. Additionally, the fluorine atom may enhance lipophilicity and metabolic stability. Its synthesis typically involves multi-step organic reactions, and it may be characterized using techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity. Overall, this compound's unique features make it a candidate for further research in various chemical and biological applications.

Formula: C₁₃H₁₂FN₃O₃S

InChI: InChI=1S/C13H12FN3O3S/c14-8-3-1-4-9(7-8)15-12(20)13-17-16-10(21-13)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,15,20)(H,18,19)

InChI key: InChIKey=KJDVLIBDLUMZFR-UHFFFAOYSA-N

SMILES: C(NC1=CC(F)=CC=C1)(=O)C=2SC(CCCC(O)=O)=NN2

Synonyms:

• 1,3,4-Thiadiazole-2-butanoic acid, 5-[[(3-fluorophenyl)amino]carbonyl]-
• 5-[[(3-Fluorophenyl)amino]carbonyl]-1,3,4-thiadiazole-2-butanoic acid