CAS 1142209-53-7

5-[(1,3-Benzodioxol-5-ylamino)carbonyl]-1,3,4-thiadiazole-2-propanoic acid

Description:

5-[(1,3-Benzodioxol-5-ylamino)carbonyl]-1,3,4-thiadiazole-2-propanoic acid is a chemical compound characterized by its complex structure, which includes a thiadiazole ring, a benzodioxole moiety, and a propanoic acid functional group. This compound typically exhibits properties associated with both heterocyclic and aromatic compounds, such as potential biological activity and solubility in organic solvents. The presence of the thiadiazole ring suggests possible applications in pharmaceuticals, as thiadiazoles are known for their diverse biological activities, including antimicrobial and anti-inflammatory properties. The benzodioxole group may contribute to the compound's ability to interact with biological targets, enhancing its pharmacological profile. Additionally, the carboxylic acid functionality can influence the compound's solubility and reactivity, making it a candidate for further chemical modifications. Overall, this compound's unique structural features may lend it potential utility in medicinal chemistry and drug development, although specific biological activities would require empirical investigation.

Formula: C₁₃H₁₁N₃O₅S

InChI: InChI=1S/C13H11N3O5S/c17-11(18)4-3-10-15-16-13(22-10)12(19)14-7-1-2-8-9(5-7)21-6-20-8/h1-2,5H,3-4,6H2,(H,14,19)(H,17,18)

InChI key: InChIKey=CYHJYGIKPBETMR-UHFFFAOYSA-N

SMILES: N(C(=O)C=1SC(CCC(O)=O)=NN1)C=2C=C3C(=CC2)OCO3

Synonyms:

• 5-[(1,3-Benzodioxol-5-ylamino)carbonyl]-1,3,4-thiadiazole-2-propanoic acid
• 1,3,4-Thiadiazole-2-propanoic acid, 5-[(1,3-benzodioxol-5-ylamino)carbonyl]-