6-(4-chlorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 692241
• Molecular Formular: C17H14ClN5OS
• Molecular Mass: 371.84396
• Monoisotopic Mass: 371.06075877
• SMILES: n12c(nc(c2)c2ccc(cc2)Cl)scc1C(=O)NCCn1nccc1
• Canonical SMILES: Clc1ccc(cc1)c1cn2c(n1)scc2C(=O)NCCn1cccn1
• InChI: InChI=1S/C17H14ClN5OS/c18-13-4-2-12(3-5-13)14-10-23-15(11-25-17(23)21-14)16(24)19-7-9-22-8-1-6-20-22/h1-6,8,10-11H,7,9H2,(H,19,24)
• InChIKey: JCHPUAYQAFSLET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-chlorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-chlorophenyl)-N-[2-(pyrazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(4-chlorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.993366
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6525025
• LogD (pH = 7.4): 2.6542473
• Log P: 2.6542695
• Molar Refractivity: 119.9264 cm^3
• Polarizability: 37.73482 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.71
• LOG S: -6.15
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5