N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide dihydrochloride

• ChemBase ID: 121066
• Molecular Formular: C10H18Cl2N4OS
• Molecular Mass: 313.24712
• Monoisotopic Mass: 312.05783758
• SMILES: c1(ncc(s1)CN1CCNCC1)NC(=O)C.Cl.Cl
• Canonical SMILES: CC(=O)Nc1ncc(s1)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H16N4OS.2ClH/c1-8(15)13-10-12-6-9(16-10)7-14-4-2-11-3-5-14;;/h6,11H,2-5,7H2,1H3,(H,12,13,15);2*1H
• InChIKey: CKGQRKBDEPEASM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide dihydrochloride
• IUPAC Traditional name: N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide dihydrochloride
• Synonyms: N-(5-(piperazin-1-ylmethyl)thiazol-2-yl)acetamide dihydrochloride

Database IDs

• PubChem SID: 162215419
• PubChem CID: 71308050

CALCULATED PROPERTIES

• Acid pKa: 10.815898
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0267408
• LogD (pH = 7.4): -1.713212
• Log P: -0.033427984
• Molar Refractivity: 64.6849 cm^3
• Polarizability: 24.557806 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl