6-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 462211
• Molecular Formular: C18H20FN3O2S
• Molecular Mass: 361.4337032
• Monoisotopic Mass: 361.12602612
• SMILES: c1(n2c(nc(c2)c2c(F)cccc2)sc1)C(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1csc2n1cc(n2)c1ccccc1F)C(C)C
• InChI: InChI=1S/C18H20FN3O2S/c1-12(2)21(8-9-24-3)17(23)16-11-25-18-20-15(10-22(16)18)13-6-4-5-7-14(13)19/h4-7,10-12H,8-9H2,1-3H3
• InChIKey: ATTAORLTMQCRMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-fluorophenyl)-N-isopropyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-fluorophenyl)-N-isopropyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9121993
• LogD (pH = 7.4): 2.9134138
• Log P: 2.9134295
• Molar Refractivity: 107.4532 cm^3
• Polarizability: 37.186703 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.07
• LOG S: -4.22
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4