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

• ChemBase ID: 237050
• Molecular Formular: C11H14N2S
• Molecular Mass: 206.30726
• Monoisotopic Mass: 206.08776946
• SMILES: C1(=NCC(S1)c1ccccc1)NCC
• Canonical SMILES: CCNC1=NCC(S1)c1ccccc1
• InChI: InChI=1S/C11H14N2S/c1-2-12-11-13-8-10(14-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
• InChIKey: AZVKLDRVBYAHKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12170507
• PubChem SID: 164292960
• PubChem CID: 43439596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21877879
• LogD (pH = 7.4): 1.0636376
• Log P: 2.5987594
• Molar Refractivity: 61.4735 cm^3
• Polarizability: 23.76475 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.804

Product Information

• Purity: 95%