2-methyl-1,3-thiazole-5-carboxamide

• ChemBase ID: 267381
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: c1(sc(nc1)C)C(=O)N
• Canonical SMILES: Cc1ncc(s1)C(=O)N
• InChI: InChI=1S/C5H6N2OS/c1-3-7-2-4(9-3)5(6)8/h2H,1H3,(H2,6,8)
• InChIKey: HJPJGOLULCTEAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13179608
• PubChem SID: 164323291
• PubChem CID: 23322366

CALCULATED PROPERTIES

• Acid pKa: 12.678982
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.26195246
• LogD (pH = 7.4): -0.26181665
• Log P: -0.26181695
• Molar Refractivity: 34.5696 cm^3
• Polarizability: 12.818422 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.142

Product Information

• Purity: 95%