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

• ChemBase ID: 652695
• Molecular Formular: C24H23N5S
• Molecular Mass: 413.53792
• Monoisotopic Mass: 413.16741676
• SMILES: n1n(cc(c1c1cc(ccc1)C)CNCc1nc2n(c1)ccs2)c1ccc(cc1)C
• Canonical SMILES: Cc1cccc(c1)c1nn(cc1CNCc1cn2c(n1)scc2)c1ccc(cc1)C
• InChI: InChI=1S/C24H23N5S/c1-17-6-8-22(9-7-17)29-15-20(23(27-29)19-5-3-4-18(2)12-19)13-25-14-21-16-28-10-11-30-24(28)26-21/h3-12,15-16,25H,13-14H2,1-2H3
• InChIKey: RBPXTMLXZKMCCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0778286
• LogD (pH = 7.4): 4.7818723
• Log P: 5.303282
• Molar Refractivity: 134.0591 cm^3
• Polarizability: 48.374165 Å^3
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.34
• LOG S: -7.04
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 6