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

C14H10FNO4S — CID 72698545

IUPAC(1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1C/S(=C\c2ccc(-c3ccc(F)cc3O)o2)C(=O)N1
InChIInChI=1S/C14H10FNO4S/c15-8-1-3-10(11(17)5-8)12-4-2-9(20-12)6-21-7-13(18)16-14(21)19/h1-6,17H,7H2,(H,16,18,19)
InChIKeyHWIQSZPIZTVKNA-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.46
Rot. Bonds2

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

(1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 72698545) has the molecular formula C14H10FNO4S and a molecular weight of 307.30 g/mol. Its IUPAC name is (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID72698545
Molecular FormulaC14H10FNO4S
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Name(1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1C/S(=C\c2ccc(-c3ccc(F)cc3O)o2)C(=O)N1
InChIInChI=1S/C14H10FNO4S/c15-8-1-3-10(11(17)5-8)12-4-2-9(20-12)6-21-7-13(18)16-14(21)19/h1-6,17H,7H2,(H,16,18,19)
InChIKeyHWIQSZPIZTVKNA-UHFFFAOYSA-N
XLogP2.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

AS-252424
CID 11630874
5-[5-(2-Hydroxyphenyl)furan-2-ylmethylene]thiazolidine-2, 4-dione
CID 11522078
5-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoic acid
CID 1218955
(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 1204893
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
5-[5-(4-Hydroxyphenyl)furan-2-ylmethylene]thiazolidine-2, 4-dione
CID 10125446
3-[5-(2,4-Dioxothiazolidin-5-ylidenemethyl)furan-2-yl]-4-hydroxybenzoic acid
CID 11530037
5-[5-(2-Hydroxy-5-chlorophenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 11529859
5-[5-(3-Hydroxyphenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 11550986
5-[5-(2-Hydroxy-5-methylphenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 11551198
5-[5-(2-Hydroxy-5-trifluoromethoxyphenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 11566902
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 72698545) is (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1C/S(=C\c2ccc(-c3ccc(F)cc3O)o2)C(=O)N1.
What is the InChIKey of (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HWIQSZPIZTVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4S/c15-8-1-3-10(11(17)5-8)12-4-2-9(20-12)6-21-7-13(18)16-14(21)19/h1-6,17H,7H2,(H,16,18,19).
What are the key properties of (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 307.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 72698545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).