4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]morpholine

• ChemBase ID: 476214
• Molecular Formular: C16H14FN3O2S
• Molecular Mass: 331.3646632
• Monoisotopic Mass: 331.07907592
• SMILES: n12c(C(=O)N3CCOCC3)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)scc2C(=O)N1CCOCC1
• InChI: InChI=1S/C16H14FN3O2S/c17-12-3-1-11(2-4-12)13-9-20-14(10-23-16(20)18-13)15(21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2
• InChIKey: CNOCGCSHLPEXKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]morpholine
• Synonyms: 6-(4-fluorophenyl)-3-(4-morpholinylcarbonyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.966918
• LogD (pH = 7.4): 1.9685012
• Log P: 1.9685215
• Molar Refractivity: 96.3168 cm^3
• Polarizability: 32.79414 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.08
• LOG S: -3.68
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2