(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione hydrochloride

• ChemBase ID: 229616
• Molecular Formular: C10H11ClN2O2S2
• Molecular Mass: 290.78954
• Monoisotopic Mass: 289.99504728
• SMILES: N1(C(=O)S/C(=C/c2sccc2)/C1=O)CCN.Cl
• Canonical SMILES: NCCN1C(=O)S/C(=C/c2cccs2)/C1=O.Cl
• InChI: InChI=1S/C10H10N2O2S2.ClH/c11-3-4-12-9(13)8(16-10(12)14)6-7-2-1-5-15-7;/h1-2,5-6H,3-4,11H2;1H/b8-6+
• InChIKey: PRRCMKJABRCHOR-WVLIHFOGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione hydrochloride
• IUPAC Traditional name: (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione hydrochloride
• Synonyms: (5E)-3-(2-aminoethyl)-5-(thien-2-ylmethylene)-1,3-thiazolidine-2,4-dione hydrochloride

Database IDs

• MDL Number: MFCD08445263
• PubChem SID: 164285526
• PubChem CID: 20847886

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7474595
• LogD (pH = 7.4): -0.53543544
• Log P: 1.1895326
• Molar Refractivity: 65.9574 cm^3
• Polarizability: 25.096899 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.55

Product Information

• Purity: 95%
• Salt Data: HCl