2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide

• ChemBase ID: 309285
• Molecular Formular: C6H9N3OS
• Molecular Mass: 171.22016
• Monoisotopic Mass: 171.04663292
• SMILES: c1(ncc(s1)CC(=O)NC)N
• Canonical SMILES: CNC(=O)Cc1cnc(s1)N
• InChI: InChI=1S/C6H9N3OS/c1-8-5(10)2-4-3-9-6(7)11-4/h3H,2H2,1H3,(H2,7,9)(H,8,10)
• InChIKey: URBCOBZKFMVRRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
• IUPAC Traditional name: 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
• Synonyms: 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide

Database IDs

• CAS Number: 1172707-63-9
• MDL Number: MFCD12402129

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.39478093
• LogD (pH = 7.4): -0.32667258
• Log P: -0.3257162
• Molar Refractivity: 43.2507 cm^3
• Polarizability: 16.05582 Å^3
• Polar Surface Area: 68.01 Å^2