2-(pyridin-2-yl)-1,3-thiazol-4-amine

• ChemBase ID: 248211
• Molecular Formular: C8H7N3S
• Molecular Mass: 177.22628
• Monoisotopic Mass: 177.03606824
• SMILES: n1c(scc1N)c1ncccc1
• Canonical SMILES: Nc1csc(n1)c1ccccn1
• InChI: InChI=1S/C8H7N3S/c9-7-5-12-8(11-7)6-3-1-2-4-10-6/h1-5H,9H2
• InChIKey: VDAWJRSHCKMTRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)-1,3-thiazol-4-amine
• IUPAC Traditional name: 2-(pyridin-2-yl)-1,3-thiazol-4-amine
• Synonyms: 2-(pyridin-2-yl)-1,3-thiazol-4-amine

Database IDs

• MDL Number: MFCD12033358
• PubChem SID: 164304121
• PubChem CID: 13219383

CALCULATED PROPERTIES

• Acid pKa: 19.883406
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5905143
• LogD (pH = 7.4): 1.5905182
• Log P: 1.5905184
• Molar Refractivity: 58.853 cm^3
• Polarizability: 18.612677 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.149

Product Information

• Purity: 95%