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

• ChemBase ID: 432410
• Molecular Formular: C13H16N4O2S
• Molecular Mass: 292.35674
• Monoisotopic Mass: 292.09939677
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c(nc(s1)OC)C
• Canonical SMILES: COc1nc(c(s1)C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C13H16N4O2S/c1-8-11(20-13(15-8)19-2)12(18)16-10-7-14-9-5-3-4-6-17(9)10/h7H,3-6H2,1-2H3,(H,16,18)
• InChIKey: YSPGXWKQXYTPRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.442863
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8448455
• LogD (pH = 7.4): 1.4751093
• Log P: 1.5034451
• Molar Refractivity: 76.1538 cm^3
• Polarizability: 28.41239 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -2.41
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 3