N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 678597
• Molecular Formular: C14H21N3O2S
• Molecular Mass: 295.40044
• Monoisotopic Mass: 295.13544793
• SMILES: c1(nc(sc1C)C)C(N(C(=O)CN1C(=O)CCC1)C)C
• Canonical SMILES: O=C(N(C(c1nc(sc1C)C)C)C)CN1CCCC1=O
• InChI: InChI=1S/C14H21N3O2S/c1-9(14-10(2)20-11(3)15-14)16(4)13(19)8-17-7-5-6-12(17)18/h9H,5-8H2,1-4H3
• InChIKey: OQBWFHVVWFZWDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.418818
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.56160235
• LogD (pH = 7.4): 0.5648456
• Log P: 0.56488717
• Molar Refractivity: 78.1445 cm^3
• Polarizability: 29.938795 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.34
• LOG S: -2.96
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4