(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H6ClNOS3 — CID 14113873

IUPAC(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\C=C\c1ccsc1Cl
InChIInChI=1S/C10H6ClNOS3/c11-8-6(4-5-15-8)2-1-3-7-9(13)12-10(14)16-7/h1-5H,(H,12,13,14)/b2-1+,7-3-
InChIKeyUZGVWDGDRNFRNU-YDCWOTKKSA-N
MW287.82 g/mol
LogP3.45
Rot. Bonds2

About (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 14113873) has the molecular formula C10H6ClNOS3 and a molecular weight of 287.82 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID14113873
Molecular FormulaC10H6ClNOS3
Molecular Weight287.82 g/mol
Exact Mass286.93
IUPAC Name(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\C=C\c1ccsc1Cl
InChIInChI=1S/C10H6ClNOS3/c11-8-6(4-5-15-8)2-1-3-7-9(13)12-10(14)16-7/h1-5H,(H,12,13,14)/b2-1+,7-3-
InChIKeyUZGVWDGDRNFRNU-YDCWOTKKSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 53.45
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 (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 14113873) is (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\C=C\c1ccsc1Cl.
What is the InChIKey of (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is UZGVWDGDRNFRNU-YDCWOTKKSA-N. The full InChI is InChI=1S/C10H6ClNOS3/c11-8-6(4-5-15-8)2-1-3-7-9(13)12-10(14)16-7/h1-5H,(H,12,13,14)/b2-1+,7-3-.
What are the key properties of (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 287.82 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 14113873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).