{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}({imidazo[2,1-b][1,3]thiazol-6-ylmethyl})amine

• ChemBase ID: 512965
• Molecular Formular: C23H27N5S
• Molecular Mass: 405.55898
• Monoisotopic Mass: 405.19871689
• SMILES: c12nc(cn1ccs2)CNCc1c(nn(c1)C)c1ccc(cc1)C1CCCCC1
• Canonical SMILES: Cn1cc(c(n1)c1ccc(cc1)C1CCCCC1)CNCc1cn2c(n1)scc2
• InChI: InChI=1S/C23H27N5S/c1-27-15-20(13-24-14-21-16-28-11-12-29-23(28)25-21)22(26-27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h7-12,15-17,24H,2-6,13-14H2,1H3
• InChIKey: MEQPAEXHMIDUAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}({imidazo[2,1-b][1,3]thiazol-6-ylmethyl})amine
• IUPAC Traditional name: {[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl}({imidazo[2,1-b][1,3]thiazol-6-ylmethyl})amine
• Synonyms: 1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4836245
• LogD (pH = 7.4): 4.1929307
• Log P: 4.7334695
• Molar Refractivity: 140.71 cm^3
• Polarizability: 46.540848 Å^3
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.03
• LOG S: -6.7
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 6