2-(piperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide dihydrochloride

• ChemBase ID: 273561
• Molecular Formular: C8H15Cl2N5OS
• Molecular Mass: 300.2086
• Monoisotopic Mass: 299.03743649
• SMILES: c1(scnn1)NC(=O)CN1CCNCC1.Cl.Cl
• Canonical SMILES: O=C(Nc1scnn1)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C8H13N5OS.2ClH/c14-7(11-8-12-10-6-15-8)5-13-3-1-9-2-4-13;;/h6,9H,1-5H2,(H,11,12,14);2*1H
• InChIKey: GNPFLGIRQZWDPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-(piperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide dihydrochloride
• Synonyms: 2-(piperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD18785511
• PubChem SID: 164329471
• PubChem CID: 53520988

CALCULATED PROPERTIES

• Acid pKa: 10.22658
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.9920354
• LogD (pH = 7.4): -2.4916346
• Log P: -1.2047538
• Molar Refractivity: 59.9099 cm^3
• Polarizability: 21.910795 Å^3
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): -0.594

Product Information

• Purity: 95%