6-(2-methoxyphenyl)-3-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}imidazo[2,1-b][1,3]thiazole

• ChemBase ID: 664415
• Molecular Formular: C20H17N3O2S2
• Molecular Mass: 395.49788
• Monoisotopic Mass: 395.0762188
• SMILES: n12c(C(=O)N3Cc4c(scc4)CC3)csc1nc(c2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2n(c1)c(cs2)C(=O)N1CCc2c(C1)ccs2
• InChI: InChI=1S/C20H17N3O2S2/c1-25-17-5-3-2-4-14(17)15-11-23-16(12-27-20(23)21-15)19(24)22-8-6-18-13(10-22)7-9-26-18/h2-5,7,9,11-12H,6,8,10H2,1H3
• InChIKey: XDZPGSQQVBJLPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5626047
• LogD (pH = 7.4): 3.5638754
• Log P: 3.5638916
• Molar Refractivity: 118.4116 cm^3
• Polarizability: 41.32778 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.33
• LOG S: -5.8
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2