N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 345040
• Molecular Formular: C12H12N6OS
• Molecular Mass: 288.32828
• Monoisotopic Mass: 288.07933003
• SMILES: c1(n2c(nc1C)nccc2)C(=O)NCc1nc(sc1)N
• Canonical SMILES: Nc1scc(n1)CNC(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C12H12N6OS/c1-7-9(18-4-2-3-14-12(18)16-7)10(19)15-5-8-6-20-11(13)17-8/h2-4,6H,5H2,1H3,(H2,13,17)(H,15,19)
• InChIKey: VIWUHZVDJLYLSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.554846
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.77816653
• LogD (pH = 7.4): -0.7473636
• Log P: -0.74695563
• Molar Refractivity: 76.7062 cm^3
• Polarizability: 27.456795 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.21
• LOG S: -3.4
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3