2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 58174
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: c1(nc(cs1)CC(=O)N)C
• Canonical SMILES: Cc1nc(cs1)CC(=O)N
• InChI: InChI=1S/C6H8N2OS/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9)
• InChIKey: QSGPRSNMQHVIHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: 2-(2-Methyl-1,3-thiazol-4-yl)acetamide

Database IDs

• CAS Number: 185623-66-9
• MDL Number: MFCD03011393
• PubChem SID: 162062937
• PubChem CID: 2769381

CALCULATED PROPERTIES

• Acid pKa: 15.3661585
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.02959904
• LogD (pH = 7.4): -0.028257797
• Log P: -0.028240671
• Molar Refractivity: 38.4649 cm^3
• Polarizability: 14.818554 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false