N-methyl-N-propyl-1,3-thiazolidine-4-carboxamide hydrochloride

• ChemBase ID: 266845
• Molecular Formular: C8H17ClN2OS
• Molecular Mass: 224.75138
• Monoisotopic Mass: 224.07501185
• SMILES: C(=O)(C1NCSC1)N(CCC)C.Cl
• Canonical SMILES: CN(C(=O)C1CSCN1)CCC.Cl
• InChI: InChI=1S/C8H16N2OS.ClH/c1-3-4-10(2)8(11)7-5-12-6-9-7;/h7,9H,3-6H2,1-2H3;1H
• InChIKey: KALPAMRVJYOAFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-propyl-1,3-thiazolidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-methyl-N-propyl-1,3-thiazolidine-4-carboxamide hydrochloride
• Synonyms: N-methyl-N-propyl-1,3-thiazolidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD16040071
• PubChem SID: 164322755
• PubChem CID: 47002843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3930594
• LogD (pH = 7.4): 0.07879995
• Log P: 0.28300232
• Molar Refractivity: 51.7123 cm^3
• Polarizability: 20.540298 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 0.97

Product Information

• Purity: 95%