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

C10H9NO2S2 — CID 2189097

IUPAC(5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C/c2cccs2)C1=O
InChIInChI=1S/C10H9NO2S2/c1-2-11-9(12)8(15-10(11)13)6-7-4-3-5-14-7/h3-6H,2H2,1H3/b8-6+
InChIKeyCXWWHVLRKHXUMR-SOFGYWHQSA-N
MW239.32 g/mol
LogP2.80
Rot. Bonds2

About (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 2189097) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID2189097
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name(5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C/c2cccs2)C1=O
InChIInChI=1S/C10H9NO2S2/c1-2-11-9(12)8(15-10(11)13)6-7-4-3-5-14-7/h3-6H,2H2,1H3/b8-6+
InChIKeyCXWWHVLRKHXUMR-SOFGYWHQSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
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

(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-acetic acid
CID 1201190
(5E)-3-ethyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5737793
1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
Cyto9G3
CID 2732031
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2413117
3-Allyl-5-(3-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 6342917
5-[(3-Methyl-2-thienyl)methylene]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 1210787
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929
(5Z)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 5916927
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
3-(3-Oxo-3-piperidin-1-yl-propyl)-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-4-one
CID 5765636

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 2189097) is (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is CCN1C(=O)S/C(=C/c2cccs2)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is CXWWHVLRKHXUMR-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-2-11-9(12)8(15-10(11)13)6-7-4-3-5-14-7/h3-6H,2H2,1H3/b8-6+.
What are the key properties of (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2189097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).