N-methyl-6-(4-methylphenyl)-N-[1-(pyridin-3-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 769695
• Molecular Formular: C22H22N4OS
• Molecular Mass: 390.50128
• Monoisotopic Mass: 390.15143234
• SMILES: c1(n2c(nc(c2)c2ccc(cc2)C)sc1)C(=O)N(C(c1cnccc1)CC)C
• Canonical SMILES: CCC(N(C(=O)c1csc2n1cc(n2)c1ccc(cc1)C)C)c1cccnc1
• InChI: InChI=1S/C22H22N4OS/c1-4-19(17-6-5-11-23-12-17)25(3)21(27)20-14-28-22-24-18(13-26(20)22)16-9-7-15(2)8-10-16/h5-14,19H,4H2,1-3H3
• InChIKey: NYINZTAWNNLSCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(4-methylphenyl)-N-[1-(pyridin-3-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-methyl-6-(4-methylphenyl)-N-[1-(pyridin-3-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-methyl-6-(4-methylphenyl)-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9334302
• LogD (pH = 7.4): 4.002666
• Log P: 4.0036397
• Molar Refractivity: 123.4656 cm^3
• Polarizability: 43.588116 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.94
• LOG S: -4.11
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 5