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

• ChemBase ID: 866029
• Molecular Formular: C18H19FN4OS
• Molecular Mass: 358.4330632
• Monoisotopic Mass: 358.12636047
• SMILES: n12c(C(=O)N3CC(NCC3)CC)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: CCC1NCCN(C1)C(=O)c1csc2n1cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C18H19FN4OS/c1-2-14-9-22(8-7-20-14)17(24)16-11-25-18-21-15(10-23(16)18)12-3-5-13(19)6-4-12/h3-6,10-11,14,20H,2,7-9H2,1H3
• InChIKey: DNEWUGLAEYOTCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine
• IUPAC Traditional name: 3-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine
• Synonyms: 3-[(3-ethylpiperazin-1-yl)carbonyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12872003
• LogD (pH = 7.4): 1.8643146
• Log P: 2.590191
• Molar Refractivity: 106.9405 cm^3
• Polarizability: 37.273106 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.69
• LOG S: -4.11
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3