CAS 1142202-75-2

3-[[[5-[(3-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoic acid

Description:

3-[[[5-[(3-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoic acid, identified by its CAS number 1142202-75-2, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a thiadiazole ring. This compound features a carbonyl group linked to an amino group, indicating potential for hydrogen bonding and reactivity. The presence of a methylphenoxy group suggests hydrophobic characteristics, which may influence its solubility and interaction with biological systems. The thiadiazole ring contributes to its potential biological activity, as such heterocycles are often found in pharmaceuticals and agrochemicals. The compound's functional groups may allow for various chemical reactions, including acylation and amide formation. Overall, its unique structural features may impart specific properties, making it of interest in medicinal chemistry and material science. Further studies would be necessary to fully elucidate its physical and chemical properties, as well as its potential applications.

Formula: C₁₈H₁₅N₃O₄S

InChI: InChI=1S/C18H15N3O4S/c1-11-4-2-7-14(8-11)25-10-15-20-21-17(26-15)16(22)19-13-6-3-5-12(9-13)18(23)24/h2-9H,10H2,1H3,(H,19,22)(H,23,24)

InChI key: InChIKey=ZYLVSCCETQSWOO-UHFFFAOYSA-N

SMILES: C(NC1=CC(C(O)=O)=CC=C1)(=O)C=2SC(COC3=CC(C)=CC=C3)=NN2

Synonyms:

• Benzoic acid, 3-[[[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]-
• 3-[[[5-[(3-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoic acid