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

• ChemBase ID: 689394
• Molecular Formular: C14H21N3O3S
• Molecular Mass: 311.39984
• Monoisotopic Mass: 311.13036255
• SMILES: C1(C(=O)N(Cc2nc(sc2)C)C)CN(C(=O)C1)CCOC
• Canonical SMILES: COCCN1CC(CC1=O)C(=O)N(Cc1csc(n1)C)C
• InChI: InChI=1S/C14H21N3O3S/c1-10-15-12(9-21-10)8-16(2)14(19)11-6-13(18)17(7-11)4-5-20-3/h9,11H,4-8H2,1-3H3
• InChIKey: UHEKTKRVBJGTHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7970273
• LogD (pH = 7.4): -0.7960571
• Log P: -0.7960447
• Molar Refractivity: 79.6391 cm^3
• Polarizability: 30.75025 Å^3
• Polar Surface Area: 62.74 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: 0.97
• LOG S: -2.3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6