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

• ChemBase ID: 55461
• Molecular Formular: C6H10Cl2N4S
• Molecular Mass: 241.1414
• Monoisotopic Mass: 240.0003227
• SMILES: c1(nn2c(s1)nc(c2)CN)C.Cl.Cl
• Canonical SMILES: NCc1nc2n(c1)nc(s2)C.Cl.Cl
• InChI: InChI=1S/C6H8N4S.2ClH/c1-4-9-10-3-5(2-7)8-6(10)11-4;;/h3H,2,7H2,1H3;2*1H
• InChIKey: RJNDZLVXQPZHIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09864255
• PubChem SID: 162060224
• PubChem CID: 56773576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.497536
• LogD (pH = 7.4): -0.73801017
• Log P: 0.2382
• Molar Refractivity: 64.001 cm^3
• Polarizability: 16.268963 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