[5-(1,3,4-thiadiazol-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 796556
• Molecular Formular: C8H8N4S
• Molecular Mass: 192.24092
• Monoisotopic Mass: 192.04696728
• SMILES: C(N)c1cncc(c1)c1scnn1
• Canonical SMILES: NCc1cncc(c1)c1nncs1
• InChI: InChI=1S/C8H8N4S/c9-2-6-1-7(4-10-3-6)8-12-11-5-13-8/h1,3-5H,2,9H2
• InChIKey: HDRJMNDJRZZCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(1,3,4-thiadiazol-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(1,3,4-thiadiazol-2-yl)pyridin-3-yl]methanamine
• Synonyms: (5-(1,3,4-Thiadiazol-2-yl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1346687-65-7

CALCULATED PROPERTIES

• Molar Refractivity: 62.8073 cm^3
• Polarizability: 19.994398 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2217734
• LogD (pH = 7.4): -1.9032251
• Log P: -0.31884184

PROPERTIES

Product Information

• Purity: 98%