[(2-ethyl-1,3-thiazol-4-yl)methyl](methyl)amine

• ChemBase ID: 263833
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(csc1CC)CNC
• Canonical SMILES: CNCc1csc(n1)CC
• InChI: InChI=1S/C7H12N2S/c1-3-7-9-6(4-8-2)5-10-7/h5,8H,3-4H2,1-2H3
• InChIKey: ZIICHDMODQMHCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(2-ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
• Synonyms: [(2-ethyl-1,3-thiazol-4-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD09693919
• PubChem SID: 164319743
• PubChem CID: 16494968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4075334
• LogD (pH = 7.4): 0.32674113
• Log P: 1.0954599
• Molar Refractivity: 43.0598 cm^3
• Polarizability: 16.9096 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.882

Product Information

• Purity: 95%