2-(4-cyclohexyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 273355
• Molecular Formular: C11H20Cl2N2S
• Molecular Mass: 283.2609
• Monoisotopic Mass: 282.07242501
• SMILES: n1c(csc1CCN)C1CCCCC1.Cl.Cl
• Canonical SMILES: NCCc1scc(n1)C1CCCCC1.Cl.Cl
• InChI: InChI=1S/C11H18N2S.2ClH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;;/h8-9H,1-7,12H2;2*1H
• InChIKey: JKRSWOGIQHVKNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanamine dihydrochloride
• Synonyms: 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD18483327
• PubChem SID: 164329265
• PubChem CID: 53520604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6661561
• LogD (pH = 7.4): 0.34212744
• Log P: 2.3128586
• Molar Refractivity: 59.5599 cm^3
• Polarizability: 23.463062 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): 2.397

Product Information

• Purity: 95%