phenyl(1,3-thiazol-2-yl)methanamine

• ChemBase ID: 266042
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(nccs1)C(c1ccccc1)N
• Canonical SMILES: NC(c1nccs1)c1ccccc1
• InChI: InChI=1S/C10H10N2S/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h1-7,9H,11H2
• InChIKey: RNIPFQCVVHTZST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(1,3-thiazol-2-yl)methanamine
• IUPAC Traditional name: phenyl(1,3-thiazol-2-yl)methanamine
• Synonyms: phenyl(1,3-thiazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD09891454
• PubChem SID: 164321952
• PubChem CID: 20773071

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14144777
• LogD (pH = 7.4): 1.4477178
• Log P: 1.7674029
• Molar Refractivity: 53.4247 cm^3
• Polarizability: 21.059052 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.786

Product Information

• Purity: 95%