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

• ChemBase ID: 558510
• Molecular Formular: C19H21FN4O2S
• Molecular Mass: 388.4590432
• Monoisotopic Mass: 388.13692515
• SMILES: n12c(C(=O)N3CCN(CC3)CCOC)csc1nc(c2)c1c(F)cccc1
• Canonical SMILES: COCCN1CCN(CC1)C(=O)c1csc2n1cc(n2)c1ccccc1F
• InChI: InChI=1S/C19H21FN4O2S/c1-26-11-10-22-6-8-23(9-7-22)18(25)17-13-27-19-21-16(12-24(17)19)14-4-2-3-5-15(14)20/h2-5,12-13H,6-11H2,1H3
• InChIKey: AQINSWDIWPNLCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-4-(2-methoxyethyl)piperazine
• IUPAC Traditional name: 1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-4-(2-methoxyethyl)piperazine
• Synonyms: 6-(2-fluorophenyl)-3-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8657009
• LogD (pH = 7.4): 1.9249158
• Log P: 1.9871659
• Molar Refractivity: 114.3359 cm^3
• Polarizability: 39.831608 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.68
• LOG S: -3.05
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4