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

• ChemBase ID: 274596
• Molecular Formular: C9H16Cl2N2S
• Molecular Mass: 255.20774
• Monoisotopic Mass: 254.04112488
• SMILES: c1(nc(cs1)C)C1(N)CCCC1.Cl.Cl
• Canonical SMILES: NC1(CCCC1)c1scc(n1)C.Cl.Cl
• InChI: InChI=1S/C9H14N2S.2ClH/c1-7-6-12-8(11-7)9(10)4-2-3-5-9;;/h6H,2-5,10H2,1H3;2*1H
• InChIKey: QHBAEYDUPNTZTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838904
• PubChem SID: 164330506
• PubChem CID: 54593273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.224292
• LogD (pH = 7.4): 0.31503764
• 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

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.399

Product Information

• Purity: 95%