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

• ChemBase ID: 286041
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(sc(c1)CC)CNC
• Canonical SMILES: CNCc1ncc(s1)CC
• InChI: InChI=1S/C7H12N2S/c1-3-6-4-9-7(10-6)5-8-2/h4,8H,3,5H2,1-2H3
• InChIKey: ALJUOGJXOAGTPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
• Synonyms: [(5-ethyl-1,3-thiazol-2-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD16834338
• PubChem SID: 180671572
• PubChem CID: 62653717

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0156349
• LogD (pH = 7.4): 0.7122238
• Log P: 1.3539834
• Molar Refractivity: 43.4217 cm^3
• Polarizability: 16.913189 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%