N-ethyl-6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 315802
• Molecular Formular: C19H20FN3O2S
• Molecular Mass: 373.4444032
• Monoisotopic Mass: 373.12602612
• SMILES: n12c(C(=O)N(CC3OCCC3)CC)csc1nc(c2)c1cc(F)ccc1
• Canonical SMILES: CCN(C(=O)c1csc2n1cc(n2)c1cccc(c1)F)CC1CCCO1
• InChI: InChI=1S/C19H20FN3O2S/c1-2-22(10-15-7-4-8-25-15)18(24)17-12-26-19-21-16(11-23(17)19)13-5-3-6-14(20)9-13/h3,5-6,9,11-12,15H,2,4,7-8,10H2,1H3
• InChIKey: SLBRYAYKBOUJOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-ethyl-6-(3-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9608526
• LogD (pH = 7.4): 2.9623992
• Log P: 2.9624188
• Molar Refractivity: 110.2456 cm^3
• Polarizability: 38.297523 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.31
• LOG S: -4.91
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4