3-amino-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}thiophene-2-carboxamide

• ChemBase ID: 590032
• Molecular Formular: C12H14N4OS
• Molecular Mass: 262.33076
• Monoisotopic Mass: 262.08883209
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(ccs1)N
• Canonical SMILES: O=C(c1sccc1N)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H14N4OS/c13-8-4-6-18-11(8)12(17)15-10-7-14-9-3-1-2-5-16(9)10/h4,6-7H,1-3,5,13H2,(H,15,17)
• InChIKey: QRNMYCYHYCTSRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}thiophene-2-carboxamide
• IUPAC Traditional name: 3-amino-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}thiophene-2-carboxamide
• Synonyms: 3-amino-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.86089
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1292998
• LogD (pH = 7.4): 1.7603416
• Log P: 1.7882195
• Molar Refractivity: 72.2236 cm^3
• Polarizability: 26.072275 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.17
• LOG S: -2.11
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2