Description

N-{5-[3-Fluoro-4-(methanesulfonyl)phenyl]-4-methyl-1,3-thiazol-2-yl}acetamide (CAS No. 593959-19-4) is a high-purity synthetic organic compound with the molecular formula C₁₃H₁₃FN₂O₃S₂ and a molecular weight of 328.38 g/mol. This specialized chemical features a thiazole core substituted with a fluoro-methylsulfonylphenyl moiety and an acetamide functional group, making it a valuable intermediate for pharmaceutical research and medicinal chemistry applications. The compound is characterized by its IUPAC name N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide and is available with >95% purity by HPLC. It is supplied as an off-white to beige crystalline powder with excellent batch-to-batch consistency, packaged under inert atmosphere to ensure stability. Researchers will find this compound particularly useful for kinase inhibition studies and targeted drug discovery programs.

Properties

• CAS Number: 593959-19-4
• Complexity: 494
• IUPAC Name: N-[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]acetamide
• InChI: InChI=1S/C13H13FN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
• InChI Key: BNPONKLNSVKAJY-UHFFFAOYSA-N
• Exact Mass: 328.03516279
• Molecular Formula: C13H13FN2O3S2
• Molecular Weight: 328.4
• SMILES: CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)S(=O)(=O)C)F
• Topological: 113
• Monoisotopic Mass: 328.03516279
• Synonyms: 593959-19-4, CHEMBL2071330, SCHEMBL48660, DTXSID50722306, BNPONKLNSVKAJY-UHFFFAOYSA-N, BDBM50390416, DB-144118, N-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide, N-[5-[3-fluoro-4-(methanesulfonyl)phenyl]-4-methylthiazol-2-yl]acetamide, N-{5-[3-Fluoro-4-(methanesulfonyl)phenyl]-4-methyl-1,3-thiazol-2-yl}acetamide

Application

This compound serves as a key building block in the synthesis of kinase inhibitors and other biologically active molecules. Researchers utilize it in structure-activity relationship (SAR) studies for developing novel therapeutic agents targeting inflammatory pathways. The presence of both fluorine and methanesulfonyl groups makes it particularly valuable for probing enzyme active sites and optimizing drug-receptor interactions in medicinal chemistry programs.

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