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

• ChemBase ID: 229639
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: c1(nccs1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)Nc1nccs1
• InChI: InChI=1S/C9H14N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h6-8H,1-5H2,(H,10,11)
• InChIKey: XFDXDDHWWVQGRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1438-45-5
• MDL Number: MFCD00520360
• PubChem SID: 164285549
• PubChem CID: 842041

CALCULATED PROPERTIES

• Acid pKa: 15.481887
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.57722
• LogD (pH = 7.4): 2.588195
• Log P: 2.5883372
• Molar Refractivity: 51.9477 cm^3
• Polarizability: 19.556307 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 3.064

Product Information

• Purity: 95%