1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

• ChemBase ID: 322914
• Molecular Formular: C17H15N3OS
• Molecular Mass: 309.3855
• Monoisotopic Mass: 309.09358312
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CC=C(CC1)c1ccccc1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCC(=CC1)c1ccccc1
• InChI: InChI=1S/C17H15N3OS/c21-16(15-12-20-10-11-22-17(20)18-15)19-8-6-14(7-9-19)13-4-2-1-3-5-13/h1-6,10-12H,7-9H2
• InChIKey: CDTZCASFQBXOJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-4-phenyl-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-4-phenyl-3,6-dihydro-2H-pyridine
• Synonyms: 6-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6373127
• LogD (pH = 7.4): 2.6373436
• Log P: 2.6373441
• Molar Refractivity: 99.4938 cm^3
• Polarizability: 32.71799 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.27
• LOG S: -3.39
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2