({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)({[2-(3-methylphenyl)pyrimidin-5-yl]methyl})amine

• ChemBase ID: 636652
• Molecular Formular: C20H21N5S
• Molecular Mass: 363.47924
• Monoisotopic Mass: 363.1517667
• SMILES: c12n(c(c(s2)C)C)cc(n1)CNCc1cnc(nc1)c1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)c1ncc(cn1)CNCc1nc2n(c1)c(c(s2)C)C
• InChI: InChI=1S/C20H21N5S/c1-13-5-4-6-17(7-13)19-22-9-16(10-23-19)8-21-11-18-12-25-14(2)15(3)26-20(25)24-18/h4-7,9-10,12,21H,8,11H2,1-3H3
• InChIKey: DRONZTKGUJPGRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)({[2-(3-methylphenyl)pyrimidin-5-yl]methyl})amine
• IUPAC Traditional name: ({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)({[2-(3-methylphenyl)pyrimidin-5-yl]methyl})amine
• Synonyms: 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-{[2-(3-methylphenyl)pyrimidin-5-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.313239
• LogD (pH = 7.4): 3.818894
• Log P: 4.0440655
• Molar Refractivity: 128.1734 cm^3
• Polarizability: 40.53903 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.58
• LOG S: -3.05
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5