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

• ChemBase ID: 72161
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: s1cnc(c1)CC(=O)N
• Canonical SMILES: NC(=O)Cc1cscn1
• InChI: InChI=1S/C5H6N2OS/c6-5(8)1-4-2-9-3-7-4/h2-3H,1H2,(H2,6,8)
• InChIKey: JJSRACWXUSIJFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 51551-54-3
• PubChem SID: 162037306
• PubChem CID: 236568

CALCULATED PROPERTIES

• Acid pKa: 14.959482
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1515049
• LogD (pH = 7.4): -0.15130791
• Log P: -0.1513054
• Molar Refractivity: 34.0242 cm^3
• Polarizability: 13.074285 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT