N-ethyl-6-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 541288
• Molecular Formular: C20H17FN4OS
• Molecular Mass: 380.4385832
• Monoisotopic Mass: 380.1107104
• SMILES: n12c(C(=O)N(Cc3ccncc3)CC)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: CCN(C(=O)c1csc2n1cc(n2)c1ccc(cc1)F)Cc1ccncc1
• InChI: InChI=1S/C20H17FN4OS/c1-2-24(11-14-7-9-22-10-8-14)19(26)18-13-27-20-23-17(12-25(18)20)15-3-5-16(21)6-4-15/h3-10,12-13H,2,11H2,1H3
• InChIKey: IMEMSYHJOXDPLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-6-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-ethyl-6-(4-fluorophenyl)-N-(4-pyridinylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9394283
• LogD (pH = 7.4): 3.0489907
• Log P: 3.0506306
• Molar Refractivity: 114.4466 cm^3
• Polarizability: 39.636242 Å^3
• Polar Surface Area: 50.5 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: 3.13
• LOG S: -4.9
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4