(1S,4S)-2-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}-2-azabicyclo[2.2.1]heptane

• ChemBase ID: 356287
• Molecular Formular: C18H17N3OS
• Molecular Mass: 323.41208
• Monoisotopic Mass: 323.10923318
• SMILES: c1(n2c(nc(c2)c2ccccc2)sc1)C(=O)N1[C@@H]2C[C@@H](C1)CC2
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)N1C[C@@H]2C[C@@H]1CC2
• InChI: InChI=1S/C18H17N3OS/c22-17(20-9-12-6-7-14(20)8-12)16-11-23-18-19-15(10-21(16)18)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2/t12-,14-/m0/s1
• InChIKey: FUQHZICLXOUGEH-JSGCOSHPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,4S)-2-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}-2-azabicyclo[2.2.1]heptane
• IUPAC Traditional name: (1S,4S)-2-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}-2-azabicyclo[2.2.1]heptane
• Synonyms: 3-[(1S*,4S*)-2-azabicyclo[2.2.1]hept-2-ylcarbonyl]-6-phenylimidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.844299
• LogD (pH = 7.4): 2.845873
• Log P: 2.8458931
• Molar Refractivity: 101.5781 cm^3
• Polarizability: 35.352837 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: 3
• H Donor: 0
• Log P: 2.72
• LOG S: -3.88
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2