N-[(1-hydroxycyclohexyl)methyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 492013
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: n12c(nc(c2)c2c(C)cccc2)scc1C(=O)NCC1(O)CCCCC1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1C)NCC1(O)CCCCC1
• InChI: InChI=1S/C20H23N3O2S/c1-14-7-3-4-8-15(14)16-11-23-17(12-26-19(23)22-16)18(24)21-13-20(25)9-5-2-6-10-20/h3-4,7-8,11-12,25H,2,5-6,9-10,13H2,1H3,(H,21,24)
• InChIKey: JDFWIOFZIJEWHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-hydroxycyclohexyl)methyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[(1-hydroxycyclohexyl)methyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[(1-hydroxycyclohexyl)methyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.299886
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3653896
• LogD (pH = 7.4): 3.3669822
• Log P: 3.3670025
• Molar Refractivity: 114.3665 cm^3
• Polarizability: 40.30686 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.29
• LOG S: -6.19
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 4