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

C12H6FNO3S — CID 11777520

IUPAC(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3cc(F)oc3c2)S1
InChIInChI=1S/C12H6FNO3S/c13-10-5-7-2-1-6(3-8(7)17-10)4-9-11(15)14-12(16)18-9/h1-5H,(H,14,15,16)/b9-4+
InChIKeyVRUPOBLKXUKQDP-RUDMXATFSA-N
MW263.25 g/mol
LogP2.90
Rot. Bonds1

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

(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11777520) has the molecular formula C12H6FNO3S and a molecular weight of 263.25 g/mol. Its IUPAC name is (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11777520
Molecular FormulaC12H6FNO3S
Molecular Weight263.25 g/mol
Exact Mass263.01
IUPAC Name(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3cc(F)oc3c2)S1
InChIInChI=1S/C12H6FNO3S/c13-10-5-7-2-1-6(3-8(7)17-10)4-9-11(15)14-12(16)18-9/h1-5H,(H,14,15,16)/b9-4+
InChIKeyVRUPOBLKXUKQDP-RUDMXATFSA-N
XLogP2.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.90
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-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5287855
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378270
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10264530
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25068029
(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 11557830
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096053

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 11777520) is (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc3cc(F)oc3c2)S1.
What is the InChIKey of (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VRUPOBLKXUKQDP-RUDMXATFSA-N. The full InChI is InChI=1S/C12H6FNO3S/c13-10-5-7-2-1-6(3-8(7)17-10)4-9-11(15)14-12(16)18-9/h1-5H,(H,14,15,16)/b9-4+.
What are the key properties of (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 263.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11777520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).