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

• ChemBase ID: 243228
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(sc(c1)C)CCNC
• Canonical SMILES: CNCCc1ncc(s1)C
• InChI: InChI=1S/C7H12N2S/c1-6-5-9-7(10-6)3-4-8-2/h5,8H,3-4H2,1-2H3
• InChIKey: GWBYVCQMSSUWHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16834292
• PubChem SID: 164299138
• PubChem CID: 62651339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.04268
• LogD (pH = 7.4): -1.0283015
• Log P: 1.1464274
• Molar Refractivity: 43.5971 cm^3
• Polarizability: 16.83268 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.422

Product Information

• Purity: 95%