1-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 557347
• Molecular Formular: C17H25N3O2S
• Molecular Mass: 335.4643
• Monoisotopic Mass: 335.16674806
• SMILES: N1(C(=O)CC(C(=O)N(CCc2c(ncs2)C)C)C1)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)N(CCc1scnc1C)C
• InChI: InChI=1S/C17H25N3O2S/c1-12-15(23-11-18-12)7-8-19(2)17(22)13-9-16(21)20(10-13)14-5-3-4-6-14/h11,13-14H,3-10H2,1-2H3
• InChIKey: SOPTVGJHRMUKML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9532388
• LogD (pH = 7.4): 0.9535627
• Log P: 0.9535668
• Molar Refractivity: 90.3313 cm^3
• Polarizability: 34.79671 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.85
• LOG S: -2.37
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5