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

C11H9NO2S2 — CID 6342917

IUPAC(5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C/c2ccsc2)C1=O
InChIInChI=1S/C11H9NO2S2/c1-2-4-12-10(13)9(16-11(12)14)6-8-3-5-15-7-8/h2-3,5-7H,1,4H2/b9-6+
InChIKeyXVPDUJSYOGPLHE-RMKNXTFCSA-N
MW251.33 g/mol
LogP2.97
Rot. Bonds3

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

(5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 6342917) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID6342917
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name(5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C/c2ccsc2)C1=O
InChIInChI=1S/C11H9NO2S2/c1-2-4-12-10(13)9(16-11(12)14)6-8-3-5-15-7-8/h2-3,5-7H,1,4H2/b9-6+
InChIKeyXVPDUJSYOGPLHE-RMKNXTFCSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.97
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 6342917) is (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is C=CCN1C(=O)S/C(=C/c2ccsc2)C1=O.
What is the InChIKey of (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is XVPDUJSYOGPLHE-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-2-4-12-10(13)9(16-11(12)14)6-8-3-5-15-7-8/h2-3,5-7H,1,4H2/b9-6+.
What are the key properties of (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-prop-2-enyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6342917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).