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

C8H5NO2S2 — CID 1361712

IUPAC(5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccsc2)S1
InChIInChI=1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)3-5-1-2-12-4-5/h1-4H,(H,9,10,11)/b6-3+
InChIKeyYIBJLSACWOVLEB-ZZXKWVIFSA-N
MW211.27 g/mol
LogP2.07
Rot. Bonds1

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

(5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1361712) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1361712
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name(5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccsc2)S1
InChIInChI=1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)3-5-1-2-12-4-5/h1-4H,(H,9,10,11)/b6-3+
InChIKeyYIBJLSACWOVLEB-ZZXKWVIFSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1361712) is (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccsc2)S1.
What is the InChIKey of (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is YIBJLSACWOVLEB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)3-5-1-2-12-4-5/h1-4H,(H,9,10,11)/b6-3+.
What are the key properties of (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 211.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1361712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).