methyl[(2-phenyl-1,3-thiazol-5-yl)methyl]amine

• ChemBase ID: 310403
• Molecular Formular: C11H12N2S
• Molecular Mass: 204.29138
• Monoisotopic Mass: 204.07211939
• SMILES: c1(ncc(s1)CNC)c1ccccc1
• Canonical SMILES: CNCc1cnc(s1)c1ccccc1
• InChI: InChI=1S/C11H12N2S/c1-12-7-10-8-13-11(14-10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
• InChIKey: KKXGPUAWGDSHKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-phenyl-1,3-thiazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-phenyl-1,3-thiazol-5-yl)methyl]amine
• Synonyms: N-methyl-1-(2-phenyl-1,3-thiazol-5-yl)methanamine

Database IDs

• CAS Number: 921124-39-2
• MDL Number: MFCD02853611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64497066
• LogD (pH = 7.4): 0.8878578
• Log P: 2.3475971
• Molar Refractivity: 69.4001 cm^3
• Polarizability: 23.601522 Å^3
• Polar Surface Area: 24.92 Å^2