(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H13FN2O4S — CID 118089598

IUPAC(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1F
InChIInChI=1S/C19H13FN2O4S/c1-2-25-15-4-3-10(6-14(15)20)13-9-21-8-11-5-12(26-17(11)13)7-16-18(23)22-19(24)27-16/h3-9H,2H2,1H3,(H,22,23,24)/b16-7+
InChIKeyWGDYUHSXCADEAF-FRKPEAEDSA-N
MW384.39 g/mol
LogP4.36
Rot. Bonds4

About (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089598) has the molecular formula C19H13FN2O4S and a molecular weight of 384.39 g/mol. Its IUPAC name is (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089598
Molecular FormulaC19H13FN2O4S
Molecular Weight384.39 g/mol
Exact Mass384.06
IUPAC Name(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1F
InChIInChI=1S/C19H13FN2O4S/c1-2-25-15-4-3-10(6-14(15)20)13-9-21-8-11-5-12(26-17(11)13)7-16-18(23)22-19(24)27-16/h3-9H,2H2,1H3,(H,22,23,24)/b16-7+
InChIKeyWGDYUHSXCADEAF-FRKPEAEDSA-N
XLogP4.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089598) is (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CCOc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1F.
What is the InChIKey of (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WGDYUHSXCADEAF-FRKPEAEDSA-N. The full InChI is InChI=1S/C19H13FN2O4S/c1-2-25-15-4-3-10(6-14(15)20)13-9-21-8-11-5-12(26-17(11)13)7-16-18(23)22-19(24)27-16/h3-9H,2H2,1H3,(H,22,23,24)/b16-7+.
What are the key properties of (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 384.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).