1-(1,3-thiazol-2-yl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 276005
• Molecular Formular: C8H13ClN2S
• Molecular Mass: 204.72022
• Monoisotopic Mass: 204.04879711
• SMILES: c1(nccs1)C1(N)CCCC1.Cl
• Canonical SMILES: NC1(CCCC1)c1nccs1.Cl
• InChI: InChI=1S/C8H12N2S.ClH/c9-8(3-1-2-4-8)7-10-5-6-11-7;/h5-6H,1-4,9H2;1H
• InChIKey: GGWLIKPKZNOUCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917427
• PubChem SID: 164331915
• PubChem CID: 54593962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2702994
• LogD (pH = 7.4): 0.3393378
• Log P: 1.4138225
• Molar Refractivity: 45.5198 cm^3
• Polarizability: 18.107391 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 257 - 259°C
• Hydrophobicity(logP): 0.9

Product Information

• Purity: 95%