CAS 941868-40-2

5-(4-Fluorobenzoyl)-2-methyl-4-thiazolecarboxylic acid

Description:

5-(4-Fluorobenzoyl)-2-methyl-4-thiazolecarboxylic acid is a chemical compound characterized by its thiazole ring, which is a five-membered heterocyclic structure containing sulfur and nitrogen. The presence of a fluorobenzoyl group enhances its reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. This compound features a carboxylic acid functional group, which contributes to its acidity and solubility in polar solvents. The methyl group on the thiazole ring can influence its steric properties and biological activity. The fluorine atom in the para position of the benzoyl moiety can enhance lipophilicity and metabolic stability, making it a valuable scaffold in drug design. Overall, this compound's unique structural features suggest potential applications in various fields, including agrochemicals and pharmaceuticals, particularly in targeting specific biological pathways or receptors. Its specific interactions and reactivity would depend on the surrounding environment and the presence of other functional groups.

Formula: C₁₂H₈FNO₃S

InChI: InChI=1S/C12H8FNO3S/c1-6-14-9(12(16)17)11(18-6)10(15)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,16,17)

InChI key: InChIKey=JHJGOCKCIFALME-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C(O)=O)N=C(C)S1)C2=CC=C(F)C=C2

Synonyms:

• 4-Thiazolecarboxylic acid, 5-(4-fluorobenzoyl)-2-methyl-
• 5-(4-Fluorobenzoyl)-2-methyl-4-thiazolecarboxylic acid