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

• ChemBase ID: 306896
• Molecular Formular: C7H10N4S
• Molecular Mass: 182.2461
• Monoisotopic Mass: 182.06261734
• SMILES: c12n(nc(s1)C)cc(n2)CCN
• Canonical SMILES: Cc1nn2c(s1)nc(c2)CCN
• InChI: InChI=1S/C7H10N4S/c1-5-10-11-4-6(2-3-8)9-7(11)12-5/h4H,2-3,8H2,1H3
• InChIKey: ZODLYIRDAZIIQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971160

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.7117697
• Log P: 0.35001498
• Molar Refractivity: 68.7004 cm^3
• Polarizability: 18.025822 Å^3
• Polar Surface Area: 56.21 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6410167