ethyl 2-[3-ethyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetate

• ChemBase ID: 129002
• Molecular Formular: C14H22N2O3S
• Molecular Mass: 298.40108
• Monoisotopic Mass: 298.13511357
• SMILES: CCN1C(=CC(=O)OCC)SC(C1=O)N1CCCCC1
• Canonical SMILES: CCN1C(=CC(=O)OCC)SC(C1=O)N1CCCCC1
• InChI: InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3
• InChIKey: UAXYBJSAPFTPNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[3-ethyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetate
• IUPAC Traditional name: ethyl 2-[3-ethyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetate
• Synonyms: Piprozolin

Database IDs

• CAS Number: 17243-64-0
• PubChem SID: 162223304
• PubChem CID: 5911905; 28426
• ATC CODE: A05AX01
• Chemspider ID: 4744588
• Unique Ingredient Identifier: 7786W0VV8M
• Wikipedia Title: Piprozolin

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.036618
• LogD (pH = 7.4): 2.27561
• Log P: 2.2796931
• Molar Refractivity: 90.2456 cm^3
• Polarizability: 31.421928 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true