N-cyclohexyl-6-(2-methoxyphenyl)-N-(prop-2-yn-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 702290
• Molecular Formular: C22H23N3O2S
• Molecular Mass: 393.50192
• Monoisotopic Mass: 393.15109799
• SMILES: c1(n2c(nc(c2)c2c(OC)cccc2)sc1)C(=O)N(C1CCCCC1)CC#C
• Canonical SMILES: C#CCN(C(=O)c1csc2n1cc(n2)c1ccccc1OC)C1CCCCC1
• InChI: InChI=1S/C22H23N3O2S/c1-3-13-24(16-9-5-4-6-10-16)21(26)19-15-28-22-23-18(14-25(19)22)17-11-7-8-12-20(17)27-2/h1,7-8,11-12,14-16H,4-6,9-10,13H2,2H3
• InChIKey: XFFMPSLRUBUSJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-6-(2-methoxyphenyl)-N-(prop-2-yn-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-6-(2-methoxyphenyl)-N-(prop-2-yn-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-cyclohexyl-6-(2-methoxyphenyl)-N-2-propyn-1-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9127278
• LogD (pH = 7.4): 3.9139862
• Log P: 3.9140022
• Molar Refractivity: 122.0835 cm^3
• Polarizability: 43.030907 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -5.66
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5