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

C17H9ClN2O4S — CID 154167204

IUPAC5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc3cncc(-c4ccc(O)c(Cl)c4)c3o2)S1
InChIInChI=1S/C17H9ClN2O4S/c18-12-4-8(1-2-13(12)21)11-7-19-6-9-3-10(24-15(9)11)5-14-16(22)20-17(23)25-14/h1-7,21H,(H,20,22,23)
InChIKeyVFOYCIHEWSMWPZ-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.18
Rot. Bonds2

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

5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 154167204) has the molecular formula C17H9ClN2O4S and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID154167204
Molecular FormulaC17H9ClN2O4S
Molecular Weight372.79 g/mol
Exact Mass372.00
IUPAC Name5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc3cncc(-c4ccc(O)c(Cl)c4)c3o2)S1
InChIInChI=1S/C17H9ClN2O4S/c18-12-4-8(1-2-13(12)21)11-7-19-6-9-3-10(24-15(9)11)5-14-16(22)20-17(23)25-14/h1-7,21H,(H,20,22,23)
InChIKeyVFOYCIHEWSMWPZ-UHFFFAOYSA-N
XLogP4.18
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.18
H-Bond Donors ≤ 52
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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Related Compounds

(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118089440
2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
CID 118089390
(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090590
(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090369
(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090757
(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090194
(5E)-5-[[7-(3-fluoro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090641
(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090229
(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090608

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 154167204) is 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cc3cncc(-c4ccc(O)c(Cl)c4)c3o2)S1.
What is the InChIKey of 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VFOYCIHEWSMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O4S/c18-12-4-8(1-2-13(12)21)11-7-19-6-9-3-10(24-15(9)11)5-14-16(22)20-17(23)25-14/h1-7,21H,(H,20,22,23).
What are the key properties of 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 372.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154167204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).