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

• ChemBase ID: 113897
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: n1c(scc1C1CCCCC1)N
• Canonical SMILES: Nc1scc(n1)C1CCCCC1
• InChI: InChI=1S/C9H14N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,10,11)
• InChIKey: JLGBFRLWPQHZAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-cyclohexyl-1,3-thiazol-2-amine
• Synonyms: 4-Cyclohexyl-1,3-thiazol-2-amine

Database IDs

• CAS Number: 7496-55-1
• MDL Number: MFCD03473352
• PubChem SID: 162099002
• PubChem CID: 346930

CALCULATED PROPERTIES

• Acid pKa: 16.929878
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.655835
• LogD (pH = 7.4): 2.7311788
• Log P: 2.732235
• Molar Refractivity: 51.2338 cm^3
• Polarizability: 19.473396 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.103

Product Information

• Purity: 95+%