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

• ChemBase ID: 89631
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1CNC)C
• Canonical SMILES: CNCc1csc(n1)C
• InChI: InChI=1S/C6H10N2S/c1-5-8-6(3-7-2)4-9-5/h4,7H,3H2,1-2H3
• InChIKey: GJHOBSIOQKGKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
• Synonyms: N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine; N,2-dimethyl-(1,3-thiazol-4-yl)methylamine; N-methyl-1-(2-methylthiazol-4-yl)methanamine; methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine; N-Methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]amine; 2-Methyl-4-[(methylamino)methyl]-1,3-thiazole 97%

Database IDs

• CAS Number: 144163-81-5
• MDL Number: MFCD06738964
• PubChem SID: 162076496
• PubChem CID: 18939489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1180558
• LogD (pH = 7.4): -0.3839794
• Log P: 0.39492404
• Molar Refractivity: 38.4329 cm^3
• Polarizability: 15.071386 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.353

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 97%; 98%