{2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl}methanamine

• ChemBase ID: 306895
• Molecular Formular: C6H8N4S
• Molecular Mass: 168.21952
• Monoisotopic Mass: 168.04696728
• SMILES: c12n(nc(s1)C)cc(n2)CN
• Canonical SMILES: Cc1nn2c(s1)nc(c2)CN
• InChI: InChI=1S/C6H8N4S/c1-4-9-10-3-5(2-7)8-6(10)11-4/h3H,2,7H2,1H3
• InChIKey: GKNHWJKAWRNGHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl}methanamine
• IUPAC Traditional name: {2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl}methanamine
• Synonyms: 1-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine

Database IDs

• CAS Number: 933734-68-0
• MDL Number: MFCD09971159

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.505945
• LogD (pH = 7.4): -0.8611239
• Log P: 0.11300225
• Molar Refractivity: 64.001 cm^3
• Polarizability: 16.268963 Å^3
• Polar Surface Area: 56.21 Å^2