5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

C13H9NO3S — CID 71378242

IUPAC5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc2ccc(C=C3SC(=O)NC3=O)cc2o1
InChIInChI=1S/C13H9NO3S/c1-7-4-9-3-2-8(5-10(9)17-7)6-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16)
InChIKeyBOTCJKWHHMZYTP-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.07
Rot. Bonds1

About 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 71378242) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID71378242
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc2ccc(C=C3SC(=O)NC3=O)cc2o1
InChIInChI=1S/C13H9NO3S/c1-7-4-9-3-2-8(5-10(9)17-7)6-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16)
InChIKeyBOTCJKWHHMZYTP-UHFFFAOYSA-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

(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11777520
(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 21374241
(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10264530
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
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
(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5287855
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
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 23560011
(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10264639

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 71378242) is 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc2ccc(C=C3SC(=O)NC3=O)cc2o1.
What is the InChIKey of 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BOTCJKWHHMZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7-4-9-3-2-8(5-10(9)17-7)6-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(2-methyl-1-benzofuran-6-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 5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71378242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).