N,2-dimethyl-1,3-thiazole-5-carboxamide

• ChemBase ID: 264455
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: c1(sc(nc1)C)C(=O)NC
• Canonical SMILES: CNC(=O)c1cnc(s1)C
• InChI: InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)
• InChIKey: PUIJVJNJITYIIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N,2-dimethyl-1,3-thiazole-5-carboxamide
• Synonyms: N,2-dimethyl-1,3-thiazole-5-carboxamide

Database IDs

• MDL Number: MFCD15209533
• PubChem SID: 164320365
• PubChem CID: 47002207

CALCULATED PROPERTIES

• Acid pKa: 13.021805
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.038270656
• LogD (pH = 7.4): -0.03814346
• Log P: -0.038140893
• Molar Refractivity: 39.4663 cm^3
• Polarizability: 14.6356125 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 0.464

Product Information

• Purity: 95%