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

• ChemBase ID: 238150
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(scc1C)CCN(C)C
• Canonical SMILES: CN(CCc1scc(n1)C)C
• InChI: InChI=1S/C8H14N2S/c1-7-6-11-8(9-7)4-5-10(2)3/h6H,4-5H2,1-3H3
• InChIKey: ISKNHMRVLAAFLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375350
• PubChem SID: 164294060
• PubChem CID: 71756102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9321452
• LogD (pH = 7.4): -0.19864616
• Log P: 1.0149847
• Molar Refractivity: 48.427 cm^3
• Polarizability: 18.668154 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.958

Product Information

• Purity: 95%