[2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanamine

• ChemBase ID: 281300
• Molecular Formular: C9H9N3S
• Molecular Mass: 191.25286
• Monoisotopic Mass: 191.0517183
• SMILES: n1c(scc1CN)c1ncccc1
• Canonical SMILES: NCc1csc(n1)c1ccccn1
• InChI: InChI=1S/C9H9N3S/c10-5-7-6-13-9(12-7)8-3-1-2-4-11-8/h1-4,6H,5,10H2
• InChIKey: KNFBGVRVUJFFPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanamine
• IUPAC Traditional name: [2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanamine
• Synonyms: (2-pyridin-2-yl-1,3-thiazol-4-yl)methylamine

Database IDs

• MDL Number: MFCD09882196
• PubChem SID: 180666831
• PubChem CID: 24252948

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5193801
• LogD (pH = 7.4): 0.14996159
• Log P: 1.032227
• Molar Refractivity: 61.7903 cm^3
• Polarizability: 20.85831 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.336

Product Information

• Purity: 95%