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

• ChemBase ID: 266728
• Molecular Formular: C8H15ClN2OS
• Molecular Mass: 222.7355
• Monoisotopic Mass: 222.05936179
• SMILES: C(=O)(N(C1CC1)C)C1NCSC1.Cl
• Canonical SMILES: O=C(N(C1CC1)C)C1CSCN1.Cl
• InChI: InChI=1S/C8H14N2OS.ClH/c1-10(6-2-3-6)8(11)7-4-12-5-9-7;/h6-7,9H,2-5H2,1H3;1H
• InChIKey: QTGZOIGZCIJGBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16040043
• PubChem SID: 164322638
• PubChem CID: 47002810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8064033
• LogD (pH = 7.4): -0.33479986
• Log P: -0.1307635
• Molar Refractivity: 49.6509 cm^3
• Polarizability: 19.817078 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 0.496

Product Information

• Purity: 95%