(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H8ClNO3S2 — CID 6529363

IUPAC(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)S1
InChIInChI=1S/C14H8ClNO3S2/c15-8-1-4-10(5-2-8)20-12-6-3-9(19-12)7-11-13(17)16-14(18)21-11/h1-7H,(H,16,17,18)/b11-7+
InChIKeyPFGXHKQXESWGLH-YRNVUSSQSA-N
MW337.81 g/mol
LogP4.41
Rot. Bonds3

About (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6529363) has the molecular formula C14H8ClNO3S2 and a molecular weight of 337.81 g/mol. Its IUPAC name is (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6529363
Molecular FormulaC14H8ClNO3S2
Molecular Weight337.81 g/mol
Exact Mass336.96
IUPAC Name(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)S1
InChIInChI=1S/C14H8ClNO3S2/c15-8-1-4-10(5-2-8)20-12-6-3-9(19-12)7-11-13(17)16-14(18)21-11/h1-7H,(H,16,17,18)/b11-7+
InChIKeyPFGXHKQXESWGLH-YRNVUSSQSA-N
XLogP4.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione 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-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1275695
5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135437461
5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135431986
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1225147
5-(4-chlorophenyl)sulfanylfuran-2-carbaldehyde
CID 3366892
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198904
(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18773922
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
CID 59987928
4-chloro-N-[(5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126352700
5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2915453
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 5294378
1-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 992797

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 6529363) is (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)S1.
What is the InChIKey of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PFGXHKQXESWGLH-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H8ClNO3S2/c15-8-1-4-10(5-2-8)20-12-6-3-9(19-12)7-11-13(17)16-14(18)21-11/h1-7H,(H,16,17,18)/b11-7+.
What are the key properties of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 337.81 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6529363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).