N-(cyclopropylmethyl)-1,3-thiazolidine-4-carboxamide hydrochloride

• ChemBase ID: 266678
• Molecular Formular: C8H15ClN2OS
• Molecular Mass: 222.7355
• Monoisotopic Mass: 222.05936179
• SMILES: C(=O)(C1NCSC1)NCC1CC1.Cl
• Canonical SMILES: O=C(C1CSCN1)NCC1CC1.Cl
• InChI: InChI=1S/C8H14N2OS.ClH/c11-8(7-4-12-5-10-7)9-3-6-1-2-6;/h6-7,10H,1-5H2,(H,9,11);1H
• InChIKey: GIMPOJOCIJJDAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-1,3-thiazolidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-(cyclopropylmethyl)-1,3-thiazolidine-4-carboxamide hydrochloride
• Synonyms: N-(cyclopropylmethyl)-1,3-thiazolidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD16040025
• PubChem SID: 164322588
• PubChem CID: 47002786

CALCULATED PROPERTIES

• Acid pKa: 15.576035
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6869248
• LogD (pH = 7.4): -0.23263097
• Log P: -0.039426837
• Molar Refractivity: 49.485 cm^3
• Polarizability: 19.817078 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%