5-amino-2-(methylamino)-1,3-thiazole-4-carboxamide

• ChemBase ID: 307923
• Molecular Formular: C5H8N4OS
• Molecular Mass: 172.20822
• Monoisotopic Mass: 172.0418819
• SMILES: c1(c(sc(n1)NC)N)C(=O)N
• Canonical SMILES: CNc1sc(c(n1)C(=O)N)N
• InChI: InChI=1S/C5H8N4OS/c1-8-5-9-2(3(6)10)4(7)11-5/h7H2,1H3,(H2,6,10)(H,8,9)
• InChIKey: AUUMSCGUNURINM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-(methylamino)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 5-amino-2-(methylamino)-1,3-thiazole-4-carboxamide
• Synonyms: 5-amino-2-(methylamino)-1,3-thiazole-4-carboxamide

Database IDs

• CAS Number: 52868-71-0
• MDL Number: MFCD09864424

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.012535147
• LogD (pH = 7.4): 0.01262622
• Log P: 0.012627366
• Molar Refractivity: 43.5002 cm^3
• Polarizability: 15.222295 Å^3
• Polar Surface Area: 94.03 Å^2