(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine

C15H18N2O2S — CID 6447379

IUPAC(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine
SMILESC1CCNCC1.O=C1NC(=O)/C(=C\c2ccccc2)S1
InChIInChI=1S/C10H7NO2S.C5H11N/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,11,12,13);6H,1-5H2/b8-6+;
InChIKeyIROHSEVOXFQANY-WVLIHFOGSA-N
MW290.39 g/mol
LogP2.77
Rot. Bonds1

About (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine

(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine (PubChem CID 6447379) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine.

Molecular Properties

Compound Name(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine
PubChem CID6447379
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine
SMILESC1CCNCC1.O=C1NC(=O)/C(=C\c2ccccc2)S1
InChIInChI=1S/C10H7NO2S.C5H11N/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,11,12,13);6H,1-5H2/b8-6+;
InChIKeyIROHSEVOXFQANY-WVLIHFOGSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-(3-Phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione
CID 315044
5-Benzylidene-3-(3-oxo-3-piperidin-1-yl-propyl)-2-thioxo-thiazolidin-4-one
CID 5762777
5-Benzylidene-3-(3-oxo-3-piperidin-1-yl-propyl)-thiazolidine-2,4-dione
CID 1365503
(5E)-4-hydroxy-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-2(5H)-one
CID 1377750
(5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione
CID 1377751
(5Z)-3-(2-aminoethyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 49863169
5-(4-Fluoro-benzylidene)-3-piperidin-1-ylmethyl-thiazolidine-2,4-dione
CID 1205068
(5Z)-3-(2-aminoethyl)-5-benzylidene-1,3-thiazolidine-2,4-dione
CID 1551244
3-(2-Aminoethyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2432691
(E)-N-[4-[[(E)-3-methylsulfanylprop-2-enoyl]amino]butyl]-3-phenylprop-2-enamide
CID 101844316
2,4-Thiazolidinedione, 5-benzylidene-, compd. with cyclohexylamine (1:1)
CID 6447377
3-(2-Aminoethyl)-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione hydrochloride
CID 16238882

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine?
The IUPAC name of (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine (CID 6447379) is (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine.
What is the SMILES notation for (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine?
The canonical SMILES for (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine is C1CCNCC1.O=C1NC(=O)/C(=C\c2ccccc2)S1.
What is the InChIKey of (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine?
The InChIKey is IROHSEVOXFQANY-WVLIHFOGSA-N. The full InChI is InChI=1S/C10H7NO2S.C5H11N/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,11,12,13);6H,1-5H2/b8-6+;.
What are the key properties of (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine?
(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine has a molecular weight of 290.39 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-1,3-thiazolidine-2,4-dione;piperidine is sourced from PubChem (CID 6447379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).