2-bromo-N-(1,3-thiazol-2-yl)propanamide

• ChemBase ID: 307842
• Molecular Formular: C6H7BrN2OS
• Molecular Mass: 235.10158
• Monoisotopic Mass: 233.94624585
• SMILES: N(c1nccs1)C(=O)C(Br)C
• Canonical SMILES: O=C(C(Br)C)Nc1nccs1
• InChI: InChI=1S/C6H7BrN2OS/c1-4(7)5(10)9-6-8-2-3-11-6/h2-4H,1H3,(H,8,9,10)
• InChIKey: VDFJYQWYSQZREP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(1,3-thiazol-2-yl)propanamide
• IUPAC Traditional name: 2-bromo-N-(1,3-thiazol-2-yl)propanamide
• Synonyms: 2-bromo-N-1,3-thiazol-2-ylpropanamide

Database IDs

• CAS Number: 6521-08-0
• MDL Number: MFCD08087434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8455982
• LogD (pH = 7.4): 1.8453571
• Log P: 1.8456023
• Molar Refractivity: 47.8333 cm^3
• Polarizability: 17.836082 Å^3
• Polar Surface Area: 41.99 Å^2