N,N-dimethyl-1,3-thiazolidine-4-carboxamide

• ChemBase ID: 267478
• Molecular Formular: C6H12N2OS
• Molecular Mass: 160.23728
• Monoisotopic Mass: 160.06703401
• SMILES: C(=O)(C1NCSC1)N(C)C
• Canonical SMILES: CN(C(=O)C1NCSC1)C
• InChI: InChI=1S/C6H12N2OS/c1-8(2)6(9)5-3-10-4-7-5/h5,7H,3-4H2,1-2H3
• InChIKey: MBLLFHXZSVVLOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09945714
• PubChem SID: 164323388
• PubChem CID: 18752471

CALCULATED PROPERTIES

• Log P: -0.596328
• Molar Refractivity: 42.4397 cm^3
• Polarizability: 16.865347 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2728088
• LogD (pH = 7.4): -0.8006954

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.088

Product Information

• Purity: 95%