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

• ChemBase ID: 670070
• Molecular Formular: C19H22N4OS2
• Molecular Mass: 386.53418
• Monoisotopic Mass: 386.12350334
• SMILES: c1(c(n2c(n1)scc2)CN1Cc2c(scc2)CC1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCc3c(C1)ccs3)ccs2)N1CCCCC1
• InChI: InChI=1S/C19H22N4OS2/c24-18(22-6-2-1-3-7-22)17-15(23-9-11-26-19(23)20-17)13-21-8-4-16-14(12-21)5-10-25-16/h5,9-11H,1-4,6-8,12-13H2
• InChIKey: WVVAOGSKHMZHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8228326
• LogD (pH = 7.4): 2.8142197
• Log P: 2.8661005
• Molar Refractivity: 117.4969 cm^3
• Polarizability: 39.64869 Å^3
• Polar Surface Area: 40.85 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: 2.49
• LOG S: -3.7
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3