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

C17H10FN3O3S — CID 118090194

IUPAC(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1F
InChIInChI=1S/C17H10FN3O3S/c18-12-4-8(1-2-13(12)19)11-7-20-6-9-3-10(24-15(9)11)5-14-16(22)21-17(23)25-14/h1-7H,19H2,(H,21,22,23)/b14-5+
InChIKeyIFFYJMFPSPIYMA-LHHJGKSTSA-N
MW355.35 g/mol
LogP3.54
Rot. Bonds2

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

(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090194) has the molecular formula C17H10FN3O3S and a molecular weight of 355.35 g/mol. Its IUPAC name is (5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090194
Molecular FormulaC17H10FN3O3S
Molecular Weight355.35 g/mol
Exact Mass355.04
IUPAC Name(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1F
InChIInChI=1S/C17H10FN3O3S/c18-12-4-8(1-2-13(12)19)11-7-20-6-9-3-10(24-15(9)11)5-14-16(22)21-17(23)25-14/h1-7H,19H2,(H,21,22,23)/b14-5+
InChIKeyIFFYJMFPSPIYMA-LHHJGKSTSA-N
XLogP3.54
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090194) is (5E)-5-[[7-(4-amino-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-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Nc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1F.
What is the InChIKey of (5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is IFFYJMFPSPIYMA-LHHJGKSTSA-N. The full InChI is InChI=1S/C17H10FN3O3S/c18-12-4-8(1-2-13(12)19)11-7-20-6-9-3-10(24-15(9)11)5-14-16(22)21-17(23)25-14/h1-7H,19H2,(H,21,22,23)/b14-5+.
What are the key properties of (5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 355.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).