1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethan-1-amine

• ChemBase ID: 307939
• Molecular Formular: C6H8N4S
• Molecular Mass: 168.21952
• Monoisotopic Mass: 168.04696728
• SMILES: c12nc(cn1ncs2)C(N)C
• Canonical SMILES: CC(c1cn2c(n1)scn2)N
• InChI: InChI=1S/C6H8N4S/c1-4(7)5-2-10-6(9-5)11-3-8-10/h2-4H,7H2,1H3
• InChIKey: BWBUVWWRFYETLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethan-1-amine
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethanamine
• Synonyms: (1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)amine

Database IDs

• MDL Number: MFCD09971207

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1906035
• LogD (pH = 7.4): -0.6314599
• Log P: 0.55870175
• Molar Refractivity: 64.0542 cm^3
• Polarizability: 16.349377 Å^3
• Polar Surface Area: 56.21 Å^2