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

• ChemBase ID: 310387
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: n1c(csc1CNC)c1ccccc1
• Canonical SMILES: CNCc1scc(n1)c1ccccc1
• InChI: InChI=1S/C11H12N2S/c1-12-7-11-13-10(8-14-11)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
• InChIKey: IWMGARGHDMDXOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 643726-07-2
• MDL Number: MFCD05222347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22171631
• LogD (pH = 7.4): 1.5122294
• Log P: 2.2966297
• Molar Refractivity: 58.6056 cm^3
• Polarizability: 24.29693 Å^3
• Polar Surface Area: 24.92 Å^2