N-(oxolan-2-ylmethyl)-N-propyl-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 700241
• Molecular Formular: C21H22F3N3O2S
• Molecular Mass: 437.4784896
• Monoisotopic Mass: 437.13848262
• SMILES: n12c(C(=O)N(CC3OCCC3)CCC)csc1nc(c2)c1cc(C(F)(F)F)ccc1
• Canonical SMILES: CCCN(C(=O)c1csc2n1cc(n2)c1cccc(c1)C(F)(F)F)CC1CCCO1
• InChI: InChI=1S/C21H22F3N3O2S/c1-2-8-26(11-16-7-4-9-29-16)19(28)18-13-30-20-25-17(12-27(18)20)14-5-3-6-15(10-14)21(22,23)24/h3,5-6,10,12-13,16H,2,4,7-9,11H2,1H3
• InChIKey: SFUUJSZUNMRJHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2184978
• LogD (pH = 7.4): 4.220068
• Log P: 4.220088
• Molar Refractivity: 120.5269 cm^3
• Polarizability: 41.517105 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.58
• LOG S: -6.57
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4