2-chloro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 260567
• Molecular Formular: C12H11ClN2OS
• Molecular Mass: 266.74654
• Monoisotopic Mass: 266.02806166
• SMILES: c1(sc(c(n1)C)c1ccccc1)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1nc(c(s1)c1ccccc1)C
• InChI: InChI=1S/C12H11ClN2OS/c1-8-11(9-5-3-2-4-6-9)17-12(14-8)15-10(16)7-13/h2-6H,7H2,1H3,(H,14,15,16)
• InChIKey: PLKBTQKFQZODGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
• Synonyms: 2-chloro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide

Database IDs

• PubChem SID: 164316477
• PubChem CID: 71758713

CALCULATED PROPERTIES

• Acid pKa: 10.63914
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8666408
• LogD (pH = 7.4): 2.8664064
• Log P: 2.8666444
• Molar Refractivity: 69.8677 cm^3
• Polarizability: 27.525976 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.633

Product Information

• Purity: 95%