CAS 793727-50-1

2-[[4-Cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetic acid

Description:

2-[[4-Cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetic acid, with CAS number 793727-50-1, is a chemical compound characterized by its complex structure, which includes a triazole ring, a cyclohexyl group, and a methoxyphenyl moiety. This compound features a thioether linkage, which contributes to its potential biological activity. It is typically classified as a thiazolidine derivative and may exhibit properties relevant to medicinal chemistry, particularly in the context of drug development. The presence of the triazole ring suggests potential applications in antifungal or antimicrobial therapies, as triazoles are known for their ability to inhibit specific enzymes in pathogens. Additionally, the cyclohexyl and methoxyphenyl groups may influence the compound's lipophilicity and overall pharmacokinetic profile. As with many synthetic compounds, its solubility, stability, and reactivity can vary based on environmental conditions, making it essential to conduct thorough studies to understand its behavior in biological systems.

Formula: C₁₈H₂₄N₄O₃S

InChI: InChI=1S/C18H24N4O3S/c1-25-15-9-5-6-13(10-15)19-11-16-20-21-18(26-12-17(23)24)22(16)14-7-3-2-4-8-14/h5-6,9-10,14,19H,2-4,7-8,11-12H2,1H3,(H,23,24)

InChI key: InChIKey=HDIZPDOTBVNUFV-UHFFFAOYSA-N

SMILES: C(NC1=CC(OC)=CC=C1)C=2N(C(SCC(O)=O)=NN2)C3CCCCC3

Synonyms:

• Acetic acid, 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-
• 2-[[4-Cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetic acid
• Acetic acid, [[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-