6-(4-chlorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 417866
• Molecular Formular: C19H17ClN4OS2
• Molecular Mass: 416.94748
• Monoisotopic Mass: 416.05323086
• SMILES: n12c(nc(c2)c2ccc(cc2)Cl)scc1C(=O)NCCCc1c(ncs1)C
• Canonical SMILES: Clc1ccc(cc1)c1cn2c(n1)scc2C(=O)NCCCc1scnc1C
• InChI: InChI=1S/C19H17ClN4OS2/c1-12-17(27-11-22-12)3-2-8-21-18(25)16-10-26-19-23-15(9-24(16)19)13-4-6-14(20)7-5-13/h4-7,9-11H,2-3,8H2,1H3,(H,21,25)
• InChIKey: SBOWGSWDBVITAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-chlorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-chlorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(4-chlorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.015926
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8030183
• LogD (pH = 7.4): 3.804969
• Log P: 3.8049939
• Molar Refractivity: 120.6406 cm^3
• Polarizability: 42.30557 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.61
• LOG S: -7.27
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6