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

• ChemBase ID: 430398
• Molecular Formular: C18H16ClN5OS
• Molecular Mass: 385.87054
• Monoisotopic Mass: 385.07640884
• SMILES: n12c(C(=O)NC(c3cn(nc3)C)C)csc1nc(c2)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1cn2c(n1)scc2C(=O)NC(c1cnn(c1)C)C
• InChI: InChI=1S/C18H16ClN5OS/c1-11(13-7-20-23(2)8-13)21-17(25)16-10-26-18-22-15(9-24(16)18)12-4-3-5-14(19)6-12/h3-11H,1-2H3,(H,21,25)
• InChIKey: GSWPWFITOFJLNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.002889
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9919126
• LogD (pH = 7.4): 2.9935756
• Log P: 2.9935968
• Molar Refractivity: 124.8688 cm^3
• Polarizability: 39.488575 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.73
• LOG S: -6.56
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4