5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-2-(2-methoxyphenyl)-1,3-thiazole

• ChemBase ID: 600961
• Molecular Formular: C16H16N4OS
• Molecular Mass: 312.38944
• Monoisotopic Mass: 312.10448215
• SMILES: c1(sc(C2c3nc[nH]c3CCN2)cn1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ncc(s1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C16H16N4OS/c1-21-12-5-3-2-4-10(12)16-18-8-13(22-16)15-14-11(6-7-17-15)19-9-20-14/h2-5,8-9,15,17H,6-7H2,1H3,(H,19,20)
• InChIKey: LPRUGHRTPWQIFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.933233
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.530522
• LogD (pH = 7.4): 1.7062234
• Log P: 1.8205453
• Molar Refractivity: 95.9513 cm^3
• Polarizability: 33.548737 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.88
• LOG S: -1.23
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 3