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

• ChemBase ID: 273781
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: c1(nc(cs1)C)C1(N)CCCC1
• Canonical SMILES: NC1(CCCC1)c1scc(n1)C
• InChI: InChI=1S/C9H14N2S/c1-7-6-12-8(11-7)9(10)4-2-3-5-9/h6H,2-5,10H2,1H3
• InChIKey: XBURDQJIFLAWCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11899157
• PubChem SID: 164329691
• PubChem CID: 54592926

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: 59 - 61°C
• Hydrophobicity(logP): 1.399

Product Information

• Purity: 95%