2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one

C17H8N2O2S3 — CID 154199942

IUPAC2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc2cncc(C#Cc3ccsc3)c2o1
InChIInChI=1S/C17H8N2O2S3/c20-16-14(24-17(22)19-16)6-13-5-12-8-18-7-11(15(12)21-13)2-1-10-3-4-23-9-10/h3-9H,(H,19,20,22)
InChIKeyGKAOMOOFGDBQHX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.78
Rot. Bonds1

About 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one

2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 154199942) has the molecular formula C17H8N2O2S3 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID154199942
Molecular FormulaC17H8N2O2S3
Molecular Weight368.46 g/mol
Exact Mass367.97
IUPAC Name2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc2cncc(C#Cc3ccsc3)c2o1
InChIInChI=1S/C17H8N2O2S3/c20-16-14(24-17(22)19-16)6-13-5-12-8-18-7-11(15(12)21-13)2-1-10-3-4-23-9-10/h3-9H,(H,19,20,22)
InChIKeyGKAOMOOFGDBQHX-UHFFFAOYSA-N
XLogP3.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 154199942) is 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=Cc1cc2cncc(C#Cc3ccsc3)c2o1.
What is the InChIKey of 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is GKAOMOOFGDBQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N2O2S3/c20-16-14(24-17(22)19-16)6-13-5-12-8-18-7-11(15(12)21-13)2-1-10-3-4-23-9-10/h3-9H,(H,19,20,22).
What are the key properties of 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 154199942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).