(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C8H5NOS3 — CID 1241132

IUPAC(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cccs1
InChIInChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+
InChIKeyXLYORYAUKZCBPS-GQCTYLIASA-N
MW227.34 g/mol
LogP2.24
Rot. Bonds1

About (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1241132) has the molecular formula C8H5NOS3 and a molecular weight of 227.34 g/mol. Its IUPAC name is (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1241132
Molecular FormulaC8H5NOS3
Molecular Weight227.34 g/mol
Exact Mass226.95
IUPAC Name(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cccs1
InChIInChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+
InChIKeyXLYORYAUKZCBPS-GQCTYLIASA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241133
5-(2-Thienylmethylene)rhodanine
CID 2796945
(Z)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-thiophen-2-ylprop-2-enenitrile
CID 76317242
2-(allylsulfanyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 1803359
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 76328307
(5Z)-5-[(5-bromo-2-thienyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CID 1202332
(5Z)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1205039
3-Methyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolan-4-one
CID 1550686
2,4-Selenazolidinedione, 5-(2-thienylmethylene)-
CID 6448138
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5776681

Frequently Asked Questions

What is the IUPAC name of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 1241132) is (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1cccs1.
What is the InChIKey of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is XLYORYAUKZCBPS-GQCTYLIASA-N. The full InChI is InChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+.
What are the key properties of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 227.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1241132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).