N-cyclopropyl-2-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide

• ChemBase ID: 250629
• Molecular Formular: C14H15N3O2S
• Molecular Mass: 289.3528
• Monoisotopic Mass: 289.08849774
• SMILES: C\1(=N\c2ccccc2)/NC(=O)C(S1)CC(=O)NC1CC1
• Canonical SMILES: O=C(CC1S/C(=N\c2ccccc2)/NC1=O)NC1CC1
• InChI: InChI=1S/C14H15N3O2S/c18-12(15-10-6-7-10)8-11-13(19)17-14(20-11)16-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,18)(H,16,17,19)
• InChIKey: LNODMCWZZCWRKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
• Synonyms: N-cyclopropyl-2-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide

Database IDs

• MDL Number: MFCD07366452
• PubChem SID: 164306539
• PubChem CID: 16226787

CALCULATED PROPERTIES

• Acid pKa: 9.03512
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5628647
• LogD (pH = 7.4): 1.5828501
• Log P: 1.5932447
• Molar Refractivity: 78.7446 cm^3
• Polarizability: 29.836569 Å^3
• Polar Surface Area: 70.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.284

Product Information

• Purity: 95%