N-(2-methoxyphenyl)-2-[(2Z)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

• ChemBase ID: 233164
• Molecular Formular: C13H14N2O3S
• Molecular Mass: 278.32686
• Monoisotopic Mass: 278.07251332
• SMILES: C\1(=C\C(=O)Nc2c(OC)cccc2)/N(C(=O)CS1)C
• Canonical SMILES: COc1ccccc1NC(=O)/C=C/1\SCC(=O)N1C
• InChI: InChI=1S/C13H14N2O3S/c1-15-12(17)8-19-13(15)7-11(16)14-9-5-3-4-6-10(9)18-2/h3-7H,8H2,1-2H3,(H,14,16)/b13-7-
• InChIKey: JFPHEBZETBRQDS-QPEQYQDCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-2-[(2Z)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-2-[(2Z)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• Synonyms: (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide

Database IDs

• MDL Number: MFCD06655006
• PubChem SID: 164289074
• PubChem CID: 2452101

CALCULATED PROPERTIES

• Acid pKa: 12.492995
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1931074
• LogD (pH = 7.4): 1.1931041
• Log P: 1.1931075
• Molar Refractivity: 85.6526 cm^3
• Polarizability: 28.436306 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.082

Product Information

• Purity: 95%