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

• ChemBase ID: 622705
• Molecular Formular: C14H13N5O2S
• Molecular Mass: 315.35032
• Monoisotopic Mass: 315.07899568
• SMILES: c12nc(=O)cc(n1ccs2)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=c1nc2sccn2c(c1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H13N5O2S/c20-12-7-9(18-5-6-22-14(18)17-12)13(21)16-11-8-15-10-3-1-2-4-19(10)11/h5-8H,1-4H2,(H,16,21)
• InChIKey: SBUPSPNFRWHFDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3331995
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.023179015
• LogD (pH = 7.4): 0.6077327
• Log P: 0.63557225
• Molar Refractivity: 84.6377 cm^3
• Polarizability: 30.867853 Å^3
• Polar Surface Area: 79.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.47
• LOG S: -1.9
• Polar Surface Area: 81.29 Å^2
• Rotatable Bonds: 2