N-methyl-N-(propan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride

• ChemBase ID: 266684
• Molecular Formular: C8H17ClN2OS
• Molecular Mass: 224.75138
• Monoisotopic Mass: 224.07501185
• SMILES: C(=O)(N(C(C)C)C)C1NCSC1.Cl
• Canonical SMILES: CC(N(C(=O)C1NCSC1)C)C.Cl
• InChI: InChI=1S/C8H16N2OS.ClH/c1-6(2)10(3)8(11)7-4-12-5-9-7;/h6-7,9H,4-5H2,1-3H3;1H
• InChIKey: SEZDFFNNKFXOQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(propan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-isopropyl-N-methyl-1,3-thiazolidine-4-carboxamide hydrochloride
• Synonyms: N-methyl-N-(propan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD16040029
• PubChem SID: 164322594
• PubChem CID: 47002790

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4985986
• LogD (pH = 7.4): -0.026986817
• Log P: 0.17705494
• Molar Refractivity: 51.6071 cm^3
• Polarizability: 20.540298 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.75

Product Information

• Purity: 95%