ethyl 2-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]acetate

• ChemBase ID: 338868
• Molecular Formular: C15H22N2O3S
• Molecular Mass: 310.41178
• Monoisotopic Mass: 310.13511357
• SMILES: c1(C(=O)N2C(CC(=O)OCC)CCCC2)c(nc(s1)C)C
• Canonical SMILES: CCOC(=O)CC1CCCCN1C(=O)c1sc(nc1C)C
• InChI: InChI=1S/C15H22N2O3S/c1-4-20-13(18)9-12-7-5-6-8-17(12)15(19)14-10(2)16-11(3)21-14/h12H,4-9H2,1-3H3
• InChIKey: LFUNJTDRVYOJKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]acetate
• IUPAC Traditional name: ethyl 2-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]acetate
• Synonyms: ethyl {1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-piperidinyl}acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4446477
• LogD (pH = 7.4): 1.4447355
• Log P: 1.4447366
• Molar Refractivity: 81.0684 cm^3
• Polarizability: 31.154299 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.17
• LOG S: -2.46
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 5