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

• ChemBase ID: 275497
• Molecular Formular: C9H15ClN2S
• Molecular Mass: 218.7468
• Monoisotopic Mass: 218.06444717
• SMILES: c1(nc(cs1)C)C1(N)CCCC1.Cl
• Canonical SMILES: NC1(CCCC1)c1scc(n1)C.Cl
• InChI: InChI=1S/C9H14N2S.ClH/c1-7-6-12-8(11-7)9(10)4-2-3-5-9;/h6H,2-5,10H2,1H3;1H
• InChIKey: XLFWLECSFKASFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917372
• PubChem SID: 164331407
• PubChem CID: 54593703

CALCULATED PROPERTIES

• Log P: 1.5451927
• Molar Refractivity: 50.1113 cm^3
• Polarizability: 19.863386 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.224292
• LogD (pH = 7.4): 0.31503764

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): 1.399

Product Information

• Purity: 95%