imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanamine dihydrochloride

• ChemBase ID: 55466
• Molecular Formular: C5H8Cl2N4S
• Molecular Mass: 227.11482
• Monoisotopic Mass: 225.98467264
• SMILES: n1csc2n1cc(n2)CN.Cl.Cl
• Canonical SMILES: NCc1nc2n(c1)ncs2.Cl.Cl
• InChI: InChI=1S/C5H6N4S.2ClH/c6-1-4-2-9-5(8-4)10-3-7-9;;/h2-3H,1,6H2;2*1H
• InChIKey: MQRGCFVSVRACFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanamine dihydrochloride
• IUPAC Traditional name: imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanamine dihydrochloride
• Synonyms: (Imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18071179
• PubChem SID: 162060229
• PubChem CID: 53444568

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7791252
• LogD (pH = 7.4): -1.0194919
• Log P: -0.0446
• Molar Refractivity: 59.5603 cm^3
• Polarizability: 14.524122 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false