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

C19H13Cl2N3O3S — CID 118089524

IUPAC(5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(NCCc4ccc(Cl)cc4Cl)c3o2)S1
InChIInChI=1S/C19H13Cl2N3O3S/c20-12-2-1-10(14(21)6-12)3-4-23-15-9-22-8-11-5-13(27-17(11)15)7-16-18(25)24-19(26)28-16/h1-2,5-9,23H,3-4H2,(H,24,25,26)/b16-7-
InChIKeyMVHRJOPIZMVYHF-APSNUPSMSA-N
MW434.30 g/mol
LogP5.11
Rot. Bonds5

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

(5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089524) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089524
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC Name(5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(NCCc4ccc(Cl)cc4Cl)c3o2)S1
InChIInChI=1S/C19H13Cl2N3O3S/c20-12-2-1-10(14(21)6-12)3-4-23-15-9-22-8-11-5-13(27-17(11)15)7-16-18(25)24-19(26)28-16/h1-2,5-9,23H,3-4H2,(H,24,25,26)/b16-7-
InChIKeyMVHRJOPIZMVYHF-APSNUPSMSA-N
XLogP5.11
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.11
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

5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154172827
(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090229
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
(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-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(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
4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 118089836
(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090194
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
(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090722
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-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089524) is (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(NCCc4ccc(Cl)cc4Cl)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MVHRJOPIZMVYHF-APSNUPSMSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c20-12-2-1-10(14(21)6-12)3-4-23-15-9-22-8-11-5-13(27-17(11)15)7-16-18(25)24-19(26)28-16/h1-2,5-9,23H,3-4H2,(H,24,25,26)/b16-7-.
What are the key properties of (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 434.30 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[2-(2,4-dichlorophenyl)ethylamino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).