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

C16H10N2O2S2 — CID 154128573

IUPAC5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc2cncc(C#CC3CC3)c2o1
InChIInChI=1S/C16H10N2O2S2/c19-15-13(22-16(21)18-15)6-12-5-11-8-17-7-10(14(11)20-12)4-3-9-1-2-9/h5-9H,1-2H2,(H,18,19,21)
InChIKeyCDZZBDYBHQKIOO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.08
Rot. Bonds1

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

5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 154128573) has the molecular formula C16H10N2O2S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID154128573
Molecular FormulaC16H10N2O2S2
Molecular Weight326.40 g/mol
Exact Mass326.02
IUPAC Name5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc2cncc(C#CC3CC3)c2o1
InChIInChI=1S/C16H10N2O2S2/c19-15-13(22-16(21)18-15)6-12-5-11-8-17-7-10(14(11)20-12)4-3-9-1-2-9/h5-9H,1-2H2,(H,18,19,21)
InChIKeyCDZZBDYBHQKIOO-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-sulfanylidene-5-[[7-[2-(2,4,5-trimethylphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 154324834
2-sulfanylidene-5-[[7-(2-thiophen-3-ylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 154199942
(5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089788
(5E)-5-[[7-[2-(4-methoxy-2-methylphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089875
(5E)-2-sulfanylidene-5-[[7-[2-[4-(trifluoromethoxy)phenyl]ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118090828
N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
CID 140751545
(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090722
(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 118089891
(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089952
(5E)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090525
(5E)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090453
(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142717669

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 154128573) is 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=Cc1cc2cncc(C#CC3CC3)c2o1.
What is the InChIKey of 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CDZZBDYBHQKIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S2/c19-15-13(22-16(21)18-15)6-12-5-11-8-17-7-10(14(11)20-12)4-3-9-1-2-9/h5-9H,1-2H2,(H,18,19,21).
What are the key properties of 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 326.40 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 154128573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).