(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C12H7NOS4 — CID 45052909

IUPAC(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccc(-c2cccs2)s1
InChIInChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)/b10-6+
InChIKeyOFWADGOJEMSXMK-UXBLZVDNSA-N
MW309.46 g/mol
LogP3.97
Rot. Bonds2

About (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 45052909) has the molecular formula C12H7NOS4 and a molecular weight of 309.46 g/mol. Its IUPAC name is (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID45052909
Molecular FormulaC12H7NOS4
Molecular Weight309.46 g/mol
Exact Mass308.94
IUPAC Name(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1ccc(-c2cccs2)s1
InChIInChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)/b10-6+
InChIKeyOFWADGOJEMSXMK-UXBLZVDNSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-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
(5E)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241132
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 9881274
2,4-Thiazolidinedione, 5-(2-thienylmethylene)-, (Z)-
CID 3641693
5-[[5-(2-Thienyl)-2-thienyl]methylene]-2-thioxo-thiazolidin-4-one
CID 3006224
5-[(E)-2-thienylmethylidene]-1,3-thiazolane-2,4-dione
CID 1421104
(5E)-2-mercapto-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CID 1226951
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 1226952
(5E)-2-mercapto-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CID 1269595
C9H7Nos3
CID 2872215

Frequently Asked Questions

What is the IUPAC name of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 45052909) is (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1ccc(-c2cccs2)s1.
What is the InChIKey of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OFWADGOJEMSXMK-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)/b10-6+.
What are the key properties of (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 309.46 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 45052909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).