1,3-thiazolidine-4-carboxamide

• ChemBase ID: 240905
• Molecular Formular: C4H8N2OS
• Molecular Mass: 132.18412
• Monoisotopic Mass: 132.03573389
• SMILES: C1(C(=O)N)NCSC1
• Canonical SMILES: NC(=O)C1CSCN1
• InChI: InChI=1S/C4H8N2OS/c5-4(7)3-1-8-2-6-3/h3,6H,1-2H2,(H2,5,7)
• InChIKey: AIOMGEMZFLRFJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazolidine-4-carboxamide
• IUPAC Traditional name: 1,3-thiazolidine-4-carboxamide
• Synonyms: 1,3-thiazolidine-4-carboxamide

Database IDs

• MDL Number: MFCD07528350
• PubChem SID: 164296815
• PubChem CID: 9964101

CALCULATED PROPERTIES

• Acid pKa: 15.991489
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6703258
• LogD (pH = 7.4): -1.2291573
• Log P: -1.0436802
• Molar Refractivity: 32.6463 cm^3
• Polarizability: 13.199139 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.922

Product Information

• Purity: 95%