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

C19H10N2O4S — CID 118090722

IUPAC(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(C#Cc4ccccc4O)c3o2)S1
InChIInChI=1S/C19H10N2O4S/c22-15-4-2-1-3-11(15)5-6-12-9-20-10-13-7-14(25-17(12)13)8-16-18(23)21-19(24)26-16/h1-4,7-10,22H,(H,21,23,24)/b16-8-
InChIKeyBZBAPVQUBAKZKN-PXNMLYILSA-N
MW362.37 g/mol
LogP3.26
Rot. Bonds1

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

(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090722) has the molecular formula C19H10N2O4S and a molecular weight of 362.37 g/mol. Its IUPAC name is (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090722
Molecular FormulaC19H10N2O4S
Molecular Weight362.37 g/mol
Exact Mass362.04
IUPAC Name(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(C#Cc4ccccc4O)c3o2)S1
InChIInChI=1S/C19H10N2O4S/c22-15-4-2-1-3-11(15)5-6-12-9-20-10-13-7-14(25-17(12)13)8-16-18(23)21-19(24)26-16/h1-4,7-10,22H,(H,21,23,24)/b16-8-
InChIKeyBZBAPVQUBAKZKN-PXNMLYILSA-N
XLogP3.26
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.26
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154169906
(5E)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090453
(5E)-5-[[7-[2-(4-acetylphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090654
(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 118089891
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
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
(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-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090074
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118089440

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090722) is (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(C#Cc4ccccc4O)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BZBAPVQUBAKZKN-PXNMLYILSA-N. The full InChI is InChI=1S/C19H10N2O4S/c22-15-4-2-1-3-11(15)5-6-12-9-20-10-13-7-14(25-17(12)13)8-16-18(23)21-19(24)26-16/h1-4,7-10,22H,(H,21,23,24)/b16-8-.
What are the key properties of (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 362.37 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).