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

C17H11N3O3S — CID 118089221

IUPAC(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1
InChIInChI=1S/C17H11N3O3S/c18-11-3-1-9(2-4-11)13-8-19-7-10-5-12(23-15(10)13)6-14-16(21)20-17(22)24-14/h1-8H,18H2,(H,20,21,22)/b14-6+
InChIKeyZOZNSSXLPLOKIM-MKMNVTDBSA-N
MW337.36 g/mol
LogP3.40
Rot. Bonds2

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

(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089221) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089221
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC Name(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1
InChIInChI=1S/C17H11N3O3S/c18-11-3-1-9(2-4-11)13-8-19-7-10-5-12(23-15(10)13)6-14-16(21)20-17(22)24-14/h1-8H,18H2,(H,20,21,22)/b14-6+
InChIKeyZOZNSSXLPLOKIM-MKMNVTDBSA-N
XLogP3.40
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.40
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-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089221) is (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Nc1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1.
What is the InChIKey of (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZOZNSSXLPLOKIM-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H11N3O3S/c18-11-3-1-9(2-4-11)13-8-19-7-10-5-12(23-15(10)13)6-14-16(21)20-17(22)24-14/h1-8H,18H2,(H,20,21,22)/b14-6+.
What are the key properties of (5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 337.36 g/mol, XLogP of 3.40, 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-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).