N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 233452
• Molecular Formular: C11H13ClN2S
• Molecular Mass: 240.75232
• Monoisotopic Mass: 240.04879711
• SMILES: C1(=NC(CS1)(C)C)Nc1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1NC1=NC(CS1)(C)C
• InChI: InChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)
• InChIKey: LTTMYELKHGQRAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
• Synonyms: N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD03961600
• PubChem SID: 164289362
• PubChem CID: 2378239

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.598905
• LogD (pH = 7.4): 3.6899066
• Log P: 3.6912005
• Molar Refractivity: 67.8901 cm^3
• Polarizability: 25.625011 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.074

Product Information

• Purity: 95%