N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-propyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 322824
• Molecular Formular: C14H18N4OS
• Molecular Mass: 290.38392
• Monoisotopic Mass: 290.12013222
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H18N4OS/c1-2-5-13-16-10(9-20-13)14(19)17-12-8-15-11-6-3-4-7-18(11)12/h8-9H,2-7H2,1H3,(H,17,19)
• InChIKey: QSIODJHQIOFJOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-propyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-propyl-1,3-thiazole-4-carboxamide
• Synonyms: 2-propyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.559351
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.712746
• LogD (pH = 7.4): 2.3393645
• Log P: 2.3670764
• Molar Refractivity: 79.1383 cm^3
• Polarizability: 29.508495 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.76
• LOG S: -2.82
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4