(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C16H9NO3S — CID 5293778

IUPAC(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3oc4ccccc4c3c2)S1
InChIInChI=1S/C16H9NO3S/c18-15-14(21-16(19)17-15)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)20-13/h1-8H,(H,17,18,19)/b14-8+
InChIKeyDJDKKCWXOMLADB-RIYZIHGNSA-N
MW295.32 g/mol
LogP3.91
Rot. Bonds1

About (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 5293778) has the molecular formula C16H9NO3S and a molecular weight of 295.32 g/mol. Its IUPAC name is (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID5293778
Molecular FormulaC16H9NO3S
Molecular Weight295.32 g/mol
Exact Mass295.03
IUPAC Name(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3oc4ccccc4c3c2)S1
InChIInChI=1S/C16H9NO3S/c18-15-14(21-16(19)17-15)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)20-13/h1-8H,(H,17,18,19)/b14-8+
InChIKeyDJDKKCWXOMLADB-RIYZIHGNSA-N
XLogP3.91
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.91
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-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 140682660
(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10264530
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-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378242
(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11777520
(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
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91690869
(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
(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
(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5287855
5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74430618

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 5293778) is (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc3oc4ccccc4c3c2)S1.
What is the InChIKey of (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is DJDKKCWXOMLADB-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H9NO3S/c18-15-14(21-16(19)17-15)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)20-13/h1-8H,(H,17,18,19)/b14-8+.
What are the key properties of (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 295.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 5293778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).