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

• ChemBase ID: 366566
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: n12c(nc(c2)c2ccccc2)scc1C(=O)NCC1(O)CCCCC1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)NCC1(O)CCCCC1
• InChI: InChI=1S/C19H21N3O2S/c23-17(20-13-19(24)9-5-2-6-10-19)16-12-25-18-21-15(11-22(16)18)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,24H,2,5-6,9-10,13H2,(H,20,23)
• InChIKey: ZRKKQCZJKMUNEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.29978
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.851945
• LogD (pH = 7.4): 2.8535604
• Log P: 2.8535812
• Molar Refractivity: 109.3253 cm^3
• Polarizability: 38.543205 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: 4.09
• LOG S: -5.74
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 4