2-amino-N-cyclopropyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 117261
• Molecular Formular: C7H9N3OS
• Molecular Mass: 183.23086
• Monoisotopic Mass: 183.04663292
• SMILES: c1(nc(sc1)N)C(=O)NC1CC1
• Canonical SMILES: O=C(c1csc(n1)N)NC1CC1
• InChI: InChI=1S/C7H9N3OS/c8-7-10-5(3-12-7)6(11)9-4-1-2-4/h3-4H,1-2H2,(H2,8,10)(H,9,11)
• InChIKey: GREWZVSADQDQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-amino-N-cyclopropyl-1,3-thiazole-4-carboxamide
• Synonyms: 2-Amino-N-cyclopropyl-1,3-thiazole-4-carboxamide

Database IDs

• MDL Number: MFCD09864137
• PubChem SID: 162102068
• PubChem CID: 42281850

CALCULATED PROPERTIES

• Acid pKa: 14.8247595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.41299456
• LogD (pH = 7.4): 0.4130926
• Log P: 0.41309386
• Molar Refractivity: 46.2544 cm^3
• Polarizability: 16.983637 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.08

Product Information

• Purity: 95+%