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

• ChemBase ID: 276746
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1C)CNC
• Canonical SMILES: CNCc1scc(n1)C
• InChI: InChI=1S/C6H10N2S/c1-5-4-9-6(8-5)3-7-2/h4,7H,3H2,1-2H3
• InChIKey: KMGBNXQVTATQAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 644950-37-8
• MDL Number: MFCD05222547
• PubChem SID: 164332656
• PubChem CID: 3928654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0217137
• LogD (pH = 7.4): -0.28972995
• Log P: 0.39492404
• Molar Refractivity: 38.4329 cm^3
• Polarizability: 15.071573 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

Product Information

• Purity: 95%