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

• ChemBase ID: 306626
• Molecular Formular: C12H14N2S
• Molecular Mass: 218.31796
• Monoisotopic Mass: 218.08776946
• SMILES: c1(c(ncs1)C)CNCc1ccccc1
• Canonical SMILES: Cc1ncsc1CNCc1ccccc1
• InChI: InChI=1S/C12H14N2S/c1-10-12(15-9-14-10)8-13-7-11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3
• InChIKey: UWWBVYACNRPSKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09864226

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.47792262
• LogD (pH = 7.4): 1.2412201
• Log P: 2.1786702
• Molar Refractivity: 63.5026 cm^3
• Polarizability: 24.661724 Å^3
• Polar Surface Area: 24.92 Å^2