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

C10H9NO3S — CID 21374241

IUPAC(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2/SC(=O)NC2=O)c(C)o1
InChIInChI=1S/C10H9NO3S/c1-5-3-7(6(2)14-5)4-8-9(12)11-10(13)15-8/h3-4H,1-2H3,(H,11,12,13)/b8-4+
InChIKeyJRUHASBZFUUOGI-XBXARRHUSA-N
MW223.25 g/mol
LogP2.22
Rot. Bonds1

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

(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 21374241) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID21374241
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2/SC(=O)NC2=O)c(C)o1
InChIInChI=1S/C10H9NO3S/c1-5-3-7(6(2)14-5)4-8-9(12)11-10(13)15-8/h3-4H,1-2H3,(H,11,12,13)/b8-4+
InChIKeyJRUHASBZFUUOGI-XBXARRHUSA-N
XLogP2.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.22
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-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378242
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563308
(5Z)-5-[(2-bromo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 134141271
5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75137248
(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 57456999
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844239
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 58423183
5-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 78648250
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844355
(5Z)-5-[[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10022234

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 21374241) is (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(/C=C2/SC(=O)NC2=O)c(C)o1.
What is the InChIKey of (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is JRUHASBZFUUOGI-XBXARRHUSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-5-3-7(6(2)14-5)4-8-9(12)11-10(13)15-8/h3-4H,1-2H3,(H,11,12,13)/b8-4+.
What are the key properties of (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 223.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21374241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).