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

• ChemBase ID: 310386
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: n1c(scc1CNC)c1ccccc1
• Canonical SMILES: CNCc1csc(n1)c1ccccc1
• InChI: InChI=1S/C11H12N2S/c1-12-7-10-8-14-11(13-10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
• InChIKey: UGRXAOUDHZOHPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 921101-66-8
• MDL Number: MFCD08060719

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.35669953
• LogD (pH = 7.4): 1.363104
• Log P: 2.2966297
• Molar Refractivity: 69.0938 cm^3
• Polarizability: 23.599644 Å^3
• Polar Surface Area: 24.92 Å^2
• H Acceptors: 2
• H Donor: 1