CAS 1142209-45-7: 4-[[5-[[(3-Chlorophenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methoxy]benzoic acid

Description: 4-[[5-[[(3-Chlorophenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methoxy]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, a thiadiazole ring, and a chlorophenyl group. The presence of the thiadiazole ring suggests potential biological activity, as thiadiazoles are often associated with various pharmacological properties. The compound features a methoxy group that enhances its solubility and may influence its reactivity. The chlorophenyl substituent can affect the compound's electronic properties and may contribute to its interaction with biological targets. This compound is likely to exhibit moderate to high polarity due to the carboxylic acid functional group, which can participate in hydrogen bonding. Its potential applications could span across medicinal chemistry, particularly in the development of pharmaceuticals, given the structural motifs that are often linked to bioactivity. However, specific properties such as melting point, solubility, and stability would require empirical data for comprehensive characterization.

Formula: C₁₇H₁₂ClN₃O₄S

InChI: InChI=1S/C17H12ClN3O4S/c18-11-2-1-3-12(8-11)19-15(22)16-21-20-14(26-16)9-25-13-6-4-10(5-7-13)17(23)24/h1-8H,9H2,(H,19,22)(H,23,24)

InChI key: InChIKey=JTYKIULHDSANTO-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=C(OCC2=NN=C(S2)C(=O)NC=3C=CC=C(Cl)C3)C=C1

Synonyms:

• Benzoic acid, 4-[[5-[[(3-chlorophenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methoxy]-
• 4-[[5-[[(3-Chlorophenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methoxy]benzoic acid

4-[(5-{[(3-Chlorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)methoxy]benzoic acid

CAS: 1142209-45-7

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• Formula: C₁₇H₁₂ClN₃O₄S
• Purity: Min. 95%
• Molecular weight: 389.81 g/mol