6-(4-ethylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 539261
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: n12c(C(=O)NC3CCOCC3)csc1nc(c2)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)c1cn2c(n1)scc2C(=O)NC1CCOCC1
• InChI: InChI=1S/C19H21N3O2S/c1-2-13-3-5-14(6-4-13)16-11-22-17(12-25-19(22)21-16)18(23)20-15-7-9-24-10-8-15/h3-6,11-12,15H,2,7-10H2,1H3,(H,20,23)
• InChIKey: BLUNZLFCCISADN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-ethylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-ethylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(4-ethylphenyl)-N-(tetrahydro-2H-pyran-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.12848
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7381785
• LogD (pH = 7.4): 2.7397993
• Log P: 2.73982
• Molar Refractivity: 110.2469 cm^3
• Polarizability: 38.53668 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.29
• LOG S: -5.51
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3