4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide

• ChemBase ID: 311027
• Molecular Formular: C11H9BrN2OS
• Molecular Mass: 297.17096
• Monoisotopic Mass: 295.96189592
• SMILES: c1(NC(=O)c2ccc(cc2)Br)nc(cs1)C
• Canonical SMILES: Brc1ccc(cc1)C(=O)Nc1scc(n1)C
• InChI: InChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
• InChIKey: YXUNUMNYOKSUJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
• IUPAC Traditional name: 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
• Synonyms: 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Database IDs

• CAS Number: 302967-87-9
• MDL Number: MFCD00725899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3082952
• LogD (pH = 7.4): 3.308283
• Log P: 3.3082962
• Molar Refractivity: 68.4875 cm^3
• Polarizability: 25.36443 Å^3
• Polar Surface Area: 41.99 Å^2