2-(piperidin-1-yl)-1,3-thiazol-4-amine hydrochloride

• ChemBase ID: 254080
• Molecular Formular: C8H14ClN3S
• Molecular Mass: 219.73486
• Monoisotopic Mass: 219.05969614
• SMILES: n1c(scc1N)N1CCCCC1.Cl
• Canonical SMILES: Nc1csc(n1)N1CCCCC1.Cl
• InChI: InChI=1S/C8H13N3S.ClH/c9-7-6-12-8(10-7)11-4-2-1-3-5-11;/h6H,1-5,9H2;1H
• InChIKey: UNDPYCMVIDDWCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-1,3-thiazol-4-amine hydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)-1,3-thiazol-4-amine hydrochloride
• Synonyms: 2-piperidin-1-yl-1,3-thiazol-4-amine hydrochloride

Database IDs

• MDL Number: MFCD09413269
• PubChem SID: 164309990
• PubChem CID: 17490803

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0379713
• LogD (pH = 7.4): 2.0402017
• Log P: 2.0402303
• Molar Refractivity: 52.3242 cm^3
• Polarizability: 18.85365 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 2.179

Product Information

• Purity: 95%
• Salt Data: HCl