(5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione

C23H16N2O4S — CID 87451387

IUPAC(5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3occ(/C=C/C(=O)N4Cc5ccccc5C4)c3c2)S1
InChIInChI=1S/C23H16N2O4S/c26-21(25-11-15-3-1-2-4-16(15)12-25)8-6-17-13-29-19-7-5-14(9-18(17)19)10-20-22(27)24-23(28)30-20/h1-10,13H,11-12H2,(H,24,27,28)/b8-6+,20-10+
InChIKeyLYCJSKMMPUTDPB-UWWCCNHXSA-N
MW416.46 g/mol
LogP4.31
Rot. Bonds3

About (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87451387) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87451387
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name(5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3occ(/C=C/C(=O)N4Cc5ccccc5C4)c3c2)S1
InChIInChI=1S/C23H16N2O4S/c26-21(25-11-15-3-1-2-4-16(15)12-25)8-6-17-13-29-19-7-5-14(9-18(17)19)10-20-22(27)24-23(28)30-20/h1-10,13H,11-12H2,(H,24,27,28)/b8-6+,20-10+
InChIKeyLYCJSKMMPUTDPB-UWWCCNHXSA-N
XLogP4.31
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.31
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-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-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

N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
CID 73045607
(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
CID 11509211
(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 11646722
(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10264530
5-[[3-(3-oxo-3-piperidin-1-ylpropyl)-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73050497
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
ethyl 3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]propanoate
CID 73031041
5-[(3-bromo-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione;5-[(2-bromo-3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 162103848
5-[(3-amino-1,2-benzoxazol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione;5-(2,1,3-benzothiadiazol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione;5-[[3-(2-phenylethynyl)-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 157118519
(5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 88622667
(5Z)-5-[(4-phenylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11616947
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87451387) is (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc3occ(/C=C/C(=O)N4Cc5ccccc5C4)c3c2)S1.
What is the InChIKey of (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LYCJSKMMPUTDPB-UWWCCNHXSA-N. The full InChI is InChI=1S/C23H16N2O4S/c26-21(25-11-15-3-1-2-4-16(15)12-25)8-6-17-13-29-19-7-5-14(9-18(17)19)10-20-22(27)24-23(28)30-20/h1-10,13H,11-12H2,(H,24,27,28)/b8-6+,20-10+.
What are the key properties of (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 416.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-[(E)-3-(1,3-dihydroisoindol-2-yl)-3-oxoprop-1-enyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87451387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).