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

• ChemBase ID: 232312
• Molecular Formular: C15H18N2S
• Molecular Mass: 258.38182
• Monoisotopic Mass: 258.11906959
• SMILES: n1c(scc1c1ccccc1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)Nc1scc(n1)c1ccccc1
• InChI: InChI=1S/C15H18N2S/c1-3-7-12(8-4-1)14-11-18-15(17-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)
• InChIKey: OEGKRBXSCXXCAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
• IUPAC Traditional name: N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
• Synonyms: Cyclohexyl-(4-phenyl-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD04608655
• PubChem SID: 164288222
• PubChem CID: 2447522

CALCULATED PROPERTIES

• Acid pKa: 15.3660755
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6202593
• LogD (pH = 7.4): 4.6213984
• Log P: 4.6214128
• Molar Refractivity: 76.7119 cm^3
• Polarizability: 30.530718 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.162

Product Information

• Purity: 95%