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

• ChemBase ID: 310426
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: c1(nc(sc1C)C)C(NC)C
• Canonical SMILES: CNC(c1nc(sc1C)C)C
• InChI: InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h5,9H,1-4H3
• InChIKey: JXLFGBIQVANZGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(dimethyl-1,3-thiazol-4-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(dimethyl-1,3-thiazol-4-yl)ethyl](methyl)amine
• Synonyms: 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine

Database IDs

• MDL Number: MFCD08060068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0704297
• LogD (pH = 7.4): 0.64384305
• Log P: 1.609549
• Molar Refractivity: 47.9831 cm^3
• Polarizability: 18.669123 Å^3
• Polar Surface Area: 24.92 Å^2