1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-3-(methoxymethyl)piperidine

• ChemBase ID: 430705
• Molecular Formular: C19H20FN3O2S
• Molecular Mass: 373.4444032
• Monoisotopic Mass: 373.12602612
• SMILES: n12c(C(=O)N3CC(COC)CCC3)csc1nc(c2)c1c(F)cccc1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1csc2n1cc(n2)c1ccccc1F
• InChI: InChI=1S/C19H20FN3O2S/c1-25-11-13-5-4-8-22(9-13)18(24)17-12-26-19-21-16(10-23(17)19)14-6-2-3-7-15(14)20/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3
• InChIKey: AOJYUAMKSAMSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-3-(methoxymethyl)piperidine
• IUPAC Traditional name: 1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-3-(methoxymethyl)piperidine
• Synonyms: 6-(2-fluorophenyl)-3-{[3-(methoxymethyl)-1-piperidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6491294
• LogD (pH = 7.4): 2.6503499
• Log P: 2.6503656
• Molar Refractivity: 110.437 cm^3
• Polarizability: 38.30229 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.21
• LOG S: -5.01
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3