(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

C13H9NO3S — CID 10264530

IUPAC(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1coc2ccc(/C=C3\SC(=O)NC3=O)cc12
InChIInChI=1S/C13H9NO3S/c1-7-6-17-10-3-2-8(4-9(7)10)5-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16)/b11-5-
InChIKeyBWIVCCKWCJQICK-WZUFQYTHSA-N
MW259.29 g/mol
LogP3.07
Rot. Bonds1

About (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10264530) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10264530
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1coc2ccc(/C=C3\SC(=O)NC3=O)cc12
InChIInChI=1S/C13H9NO3S/c1-7-6-17-10-3-2-8(4-9(7)10)5-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16)/b11-5-
InChIKeyBWIVCCKWCJQICK-WZUFQYTHSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
ethyl 3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]propanoate
CID 73031041
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378242
5-[[3-(3-oxo-3-piperidin-1-ylpropyl)-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73050497
(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
(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
CID 11509211
(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
N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
CID 73045607
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 10264530) is (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1coc2ccc(/C=C3\SC(=O)NC3=O)cc12.
What is the InChIKey of (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BWIVCCKWCJQICK-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7-6-17-10-3-2-8(4-9(7)10)5-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16)/b11-5-.
What are the key properties of (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 259.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10264530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).