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

• ChemBase ID: 480918
• Molecular Formular: C16H14FN3OS2
• Molecular Mass: 347.4302632
• Monoisotopic Mass: 347.0562323
• SMILES: n12c(C(=O)N3CCSCC3)csc1nc(c2)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1cn2c(n1)scc2C(=O)N1CCSCC1
• InChI: InChI=1S/C16H14FN3OS2/c17-12-3-1-2-11(8-12)13-9-20-14(10-23-16(20)18-13)15(21)19-4-6-22-7-5-19/h1-3,8-10H,4-7H2
• InChIKey: NPJAEFNTAGHGCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5466151
• LogD (pH = 7.4): 2.548161
• Log P: 2.5481806
• Molar Refractivity: 102.6024 cm^3
• Polarizability: 35.1409 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: 2.81
• LOG S: -4.88
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2