6-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 665507
• Molecular Formular: C19H22FN3O3S
• Molecular Mass: 391.4596832
• Monoisotopic Mass: 391.1365908
• SMILES: c1(n2c(nc(c2)c2cc(c(cc2)OC)F)sc1)C(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1csc2n1cc(n2)c1ccc(c(c1)F)OC)C(C)C
• InChI: InChI=1S/C19H22FN3O3S/c1-12(2)22(7-8-25-3)18(24)16-11-27-19-21-15(10-23(16)19)13-5-6-17(26-4)14(20)9-13/h5-6,9-12H,7-8H2,1-4H3
• InChIKey: HDRZSXKSGHXNAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-fluoro-4-methoxyphenyl)-N-isopropyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-fluoro-4-methoxyphenyl)-N-isopropyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7541783
• LogD (pH = 7.4): 2.7557383
• Log P: 2.755758
• Molar Refractivity: 113.9164 cm^3
• Polarizability: 39.718853 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.96
• LOG S: -4.11
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4