(4-phenyl-1,3-thiazol-5-yl)methanamine

• ChemBase ID: 310442
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(c(scn1)CN)c1ccccc1
• Canonical SMILES: NCc1scnc1c1ccccc1
• InChI: InChI=1S/C10H10N2S/c11-6-9-10(12-7-13-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2
• InChIKey: WBOSMSPEYGADCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenyl-1,3-thiazol-5-yl)methanamine
• IUPAC Traditional name: (4-phenyl-1,3-thiazol-5-yl)methanamine
• Synonyms: 1-(4-phenyl-1,3-thiazol-5-yl)methanamine

Database IDs

• CAS Number: 920438-42-2
• MDL Number: MFCD08060725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9154142
• LogD (pH = 7.4): 0.53438586
• Log P: 1.9233221
• Molar Refractivity: 54.2881 cm^3
• Polarizability: 22.449667 Å^3
• Polar Surface Area: 38.91 Å^2