CAS 866010-99-3

Ethyl 2-[[3-[(1-oxopropyl)amino]-1H-1,2,4-triazol-5-yl]thio]acetate

Description:

Ethyl 2-[[3-[(1-oxopropyl)amino]-1H-1,2,4-triazol-5-yl]thio]acetate, identified by its CAS number 866010-99-3, is a chemical compound that features a triazole ring, which is known for its biological activity and potential pharmaceutical applications. This compound contains an ethyl acetate moiety, contributing to its ester characteristics, and a thioether linkage that enhances its reactivity and solubility in organic solvents. The presence of the 1-oxopropylamino group suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its structure indicates that it may exhibit properties such as antimicrobial or antifungal activity, typical of triazole derivatives. Additionally, the compound's solubility and stability can be influenced by the ester and thioether functionalities, which may affect its bioavailability and pharmacokinetics. Overall, this compound represents a class of substances that could be explored for therapeutic applications, particularly in the development of new drugs targeting various diseases.

Formula: C₉H₁₄N₄O₃S

InChI: InChI=1S/C9H14N4O3S/c1-3-6(14)10-8-11-9(13-12-8)17-5-7(15)16-4-2/h3-5H2,1-2H3,(H2,10,11,12,13,14)

InChI key: InChIKey=DGXDWMJQECQHKC-UHFFFAOYSA-N

SMILES: N(C(CC)=O)C=1NC(SCC(OCC)=O)=NN1

Synonyms:

• Acetic acid, 2-[[3-[(1-oxopropyl)amino]-1H-1,2,4-triazol-5-yl]thio]-, ethyl ester
• Ethyl 2-[[3-[(1-oxopropyl)amino]-1H-1,2,4-triazol-5-yl]thio]acetate
• Acetic acid, [[5-[(1-oxopropyl)amino]-1H-1,2,4-triazol-3-yl]thio]-, ethyl ester