(2Z)-3-cyclopentyl-4-methyl-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine

• ChemBase ID: 255989
• Molecular Formular: C15H18N2S
• Molecular Mass: 258.38182
• Monoisotopic Mass: 258.11906959
• SMILES: c\1(=N\c2ccccc2)/n(c(cs1)C)C1CCCC1
• Canonical SMILES: Cc1cs/c(=N\c2ccccc2)/n1C1CCCC1
• InChI: InChI=1S/C15H18N2S/c1-12-11-18-15(16-13-7-3-2-4-8-13)17(12)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3/b16-15-
• InChIKey: JTCZUEHHHDXIKO-NXVVXOECSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-3-cyclopentyl-4-methyl-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine
• IUPAC Traditional name: (2Z)-3-cyclopentyl-4-methyl-N-phenyl-1,3-thiazol-2-imine
• Synonyms: N-[(2Z)-3-cyclopentyl-4-methyl-1,3-thiazol-2(3H)-ylidene]-N-phenylamine

Database IDs

• MDL Number: MFCD07286154
• PubChem SID: 164311899
• PubChem CID: 2392712

CALCULATED PROPERTIES

• LogD (pH = 7.4): 4.357384
• Log P: 4.357619
• Molar Refractivity: 81.2041 cm^3
• Polarizability: 30.154608 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.339394

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 5.934

Product Information

• Purity: 95%