benzyl(1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 307068
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: n1c(scc1)CNCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNCc1nccs1
• InChI: InChI=1S/C11H12N2S/c1-2-4-10(5-3-1)8-12-9-11-13-6-7-14-11/h1-7,12H,8-9H2
• InChIKey: UFWSEPMUQJPVBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: benzyl(1,3-thiazol-2-ylmethyl)amine
• Synonyms: 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine

Database IDs

• CAS Number: 247235-78-5
• MDL Number: MFCD06740600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17579377
• LogD (pH = 7.4): 1.7244756
• Log P: 1.988027
• Molar Refractivity: 58.454 cm^3
• Polarizability: 22.904015 Å^3
• Polar Surface Area: 24.92 Å^2