(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

C11H8ClNO2S2 — CID 2186377

IUPAC(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O
InChIInChI=1S/C11H8ClNO2S2/c1-2-5-13-10(14)8(17-11(13)15)6-7-3-4-9(12)16-7/h2-4,6H,1,5H2/b8-6+
InChIKeySJTNSTJPJCENIP-SOFGYWHQSA-N
MW285.78 g/mol
LogP3.62
Rot. Bonds3

About (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione (PubChem CID 2186377) has the molecular formula C11H8ClNO2S2 and a molecular weight of 285.78 g/mol. Its IUPAC name is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
PubChem CID2186377
Molecular FormulaC11H8ClNO2S2
Molecular Weight285.78 g/mol
Exact Mass284.97
IUPAC Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O
InChIInChI=1S/C11H8ClNO2S2/c1-2-5-13-10(14)8(17-11(13)15)6-7-3-4-9(12)16-7/h2-4,6H,1,5H2/b8-6+
InChIKeySJTNSTJPJCENIP-SOFGYWHQSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1257539
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 5896341
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 56949900
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1235622
(5E)-3-allyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1886131
3-Ethyl-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 2189097
(5Z)-3-(prop-2-en-1-yl)-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1886130
3-Ethyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2145712
ethyl 2-{(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
CID 6298689
3-Ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1362737
(z)-3-Methyl-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione
CID 6531825
5-[(5-Chloro-2-thienyl)methylene]-1,3-thiazolidine-2,4-dione
CID 1257537

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione (CID 2186377) is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione is C=CCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O.
What is the InChIKey of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The InChIKey is SJTNSTJPJCENIP-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H8ClNO2S2/c1-2-5-13-10(14)8(17-11(13)15)6-7-3-4-9(12)16-7/h2-4,6H,1,5H2/b8-6+.
What are the key properties of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione has a molecular weight of 285.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2186377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).