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

C21H16ClN3O6S2 — CID 118089927

IUPAC(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4Cl)c3o2)S1
InChIInChI=1S/C21H16ClN3O6S2/c22-17-9-14(33(28,29)25-3-5-30-6-4-25)1-2-15(17)16-11-23-10-12-7-13(31-19(12)16)8-18-20(26)24-21(27)32-18/h1-2,7-11H,3-6H2,(H,24,26,27)/b18-8-
InChIKeyYPLVWFKKZMTIFU-LSCVHKIXSA-N
MW505.96 g/mol
LogP3.49
Rot. Bonds4

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

(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089927) has the molecular formula C21H16ClN3O6S2 and a molecular weight of 505.96 g/mol. Its IUPAC name is (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089927
Molecular FormulaC21H16ClN3O6S2
Molecular Weight505.96 g/mol
Exact Mass505.02
IUPAC Name(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4Cl)c3o2)S1
InChIInChI=1S/C21H16ClN3O6S2/c22-17-9-14(33(28,29)25-3-5-30-6-4-25)1-2-15(17)16-11-23-10-12-7-13(31-19(12)16)8-18-20(26)24-21(27)32-18/h1-2,7-11H,3-6H2,(H,24,26,27)/b18-8-
InChIKeyYPLVWFKKZMTIFU-LSCVHKIXSA-N
XLogP3.49
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.96
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[7-[4-(4-propylpiperazin-1-yl)sulfonylphenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090236
(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090229
4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
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
N-tert-butyl-4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 140751541
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 118089518
(5E)-5-[[7-[4-(methoxymethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090685
(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
5-[[7-(3-methylsulfanylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154203928
(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089797
5-[[7-(3-propan-2-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154110495

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089927) is (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4Cl)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YPLVWFKKZMTIFU-LSCVHKIXSA-N. The full InChI is InChI=1S/C21H16ClN3O6S2/c22-17-9-14(33(28,29)25-3-5-30-6-4-25)1-2-15(17)16-11-23-10-12-7-13(31-19(12)16)8-18-20(26)24-21(27)32-18/h1-2,7-11H,3-6H2,(H,24,26,27)/b18-8-.
What are the key properties of (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 505.96 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).