CAS 938001-17-3

2-[(4-Chlorophenyl)methyl]-4-methyl-5-thiazolecarboxylic acid

Description:

2-[(4-Chlorophenyl)methyl]-4-methyl-5-thiazolecarboxylic acid, with the CAS number 938001-17-3, is a chemical compound characterized by its thiazole ring, which is a five-membered heterocyclic structure containing sulfur and nitrogen. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 4-chlorophenyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The methyl group at the 4-position of the thiazole ring can affect the compound's steric and electronic properties, potentially impacting its interactions with biological targets. Overall, this compound may exhibit various properties, including solubility in organic solvents, and could be investigated for its potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Its specific characteristics, such as melting point, boiling point, and spectral data, would require empirical measurement or literature reference for precise values.

Formula: C₁₂H₁₀ClNO₂S

InChI: InChI=1S/C12H10ClNO2S/c1-7-11(12(15)16)17-10(14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)

InChI key: InChIKey=WCRPOVQKXFFTAG-UHFFFAOYSA-N

SMILES: C(C=1SC(C(O)=O)=C(C)N1)C2=CC=C(Cl)C=C2

Synonyms:

• 2-[(4-Chlorophenyl)methyl]-4-methyl-5-thiazolecarboxylic acid
• 2-(4-Chlorobenzyl)-4-methyl-1,3-thiazole-5-carboxylic acid
• 2-(4-Chlorobenzyl)-4-methylthiazole-5-carboxylic acid
• 2-[(4-Chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
• 5-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)methyl]-4-methyl-

2-[(4-Chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

CAS: 938001-17-3

Versatile small molecule scaffold

Formula: C₁₂H₁₀ClNO₂S

Purity: Min. 95%

Molecular weight: 267.73 g/mol

Ref: 3D-NMB00117