4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-2-methyl-1,3-thiazole

• ChemBase ID: 620482
• Molecular Formular: C11H12N4OS
• Molecular Mass: 248.30418
• Monoisotopic Mass: 248.07318202
• SMILES: c1(nc(sc1)C)C(=O)N1Cc2c([nH]cn2)CC1
• Canonical SMILES: Cc1scc(n1)C(=O)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C11H12N4OS/c1-7-14-10(5-17-7)11(16)15-3-2-8-9(4-15)13-6-12-8/h5-6H,2-4H2,1H3,(H,12,13)
• InChIKey: ZXMUPZPKFGSCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-2-methyl-1,3-thiazole
• IUPAC Traditional name: 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-2-methyl-1,3-thiazole
• Synonyms: 5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444672
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.67356193
• LogD (pH = 7.4): -0.15905267
• Log P: -0.14239077
• Molar Refractivity: 64.5496 cm^3
• Polarizability: 23.987444 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.14
• LOG S: -2.43
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 1