5-cyclohexyl-1,3-thiazol-2-amine

• ChemBase ID: 248988
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: s1c(ncc1C1CCCCC1)N
• Canonical SMILES: Nc1ncc(s1)C1CCCCC1
• InChI: InChI=1S/C9H14N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,10,11)
• InChIKey: SOFLDPBWJJOWOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclohexyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-cyclohexyl-1,3-thiazol-2-amine
• Synonyms: 5-cyclohexyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD20484778
• PubChem SID: 164304898
• PubChem CID: 71758630

CALCULATED PROPERTIES

• Acid pKa: 17.60841
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.496013
• LogD (pH = 7.4): 2.730519
• Log P: 2.7347913
• Molar Refractivity: 51.4928 cm^3
• Polarizability: 19.477173 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.849

Product Information

• Purity: 95%