methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine

• ChemBase ID: 272390
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: c1(c(ncs1)C)CNC
• Canonical SMILES: CNCc1scnc1C
• InChI: InChI=1S/C6H10N2S/c1-5-6(3-7-2)9-4-8-5/h4,7H,3H2,1-2H3
• InChIKey: PKCGXFXUGSQGTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine
• Synonyms: methyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine

Database IDs

• MDL Number: MFCD08060727
• PubChem SID: 164328300
• PubChem CID: 28875446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5084977
• LogD (pH = 7.4): -0.9434107
• Log P: 0.45419702
• Molar Refractivity: 38.89 cm^3
• Polarizability: 15.070786 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.303

Product Information

• Purity: 95%