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

• ChemBase ID: 260155
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(sc(c1)CNC)C
• Canonical SMILES: CNCc1cnc(s1)C
• InChI: InChI=1S/C6H10N2S/c1-5-8-4-6(9-5)3-7-2/h4,7H,3H2,1-2H3
• InChIKey: UCMVXKFYBIYEDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02853609
• PubChem SID: 164316065
• PubChem CID: 20312952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4686332
• LogD (pH = 7.4): -0.8608553
• Log P: 0.4458916
• Molar Refractivity: 38.7392 cm^3
• Polarizability: 15.07316 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%