4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 229866
• Molecular Formular: C11H14N2S
• Molecular Mass: 206.30726
• Monoisotopic Mass: 206.08776946
• SMILES: C1(=NC(CS1)CC)Nc1ccccc1
• Canonical SMILES: CCC1CSC(=N1)Nc1ccccc1
• InChI: InChI=1S/C11H14N2S/c1-2-9-8-14-11(12-9)13-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)
• InChIKey: LOPXTRMPYUWBFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-ethyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (4-Ethyl-4,5-dihydro-thiazol-2-yl)-phenyl-amine

Database IDs

• MDL Number: MFCD01568192
• PubChem SID: 164285776
• PubChem CID: 2765799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6569943
• LogD (pH = 7.4): 3.3090522
• Log P: 3.3291016
• Molar Refractivity: 62.9711 cm^3
• Polarizability: 23.767254 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.091

Product Information

• Purity: 95%