(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C22H19N3O4S — CID 118089731

IUPAC(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3cncc(-c4cccc(CN5CCOCC5)c4)c3o2)S1
InChIInChI=1S/C22H19N3O4S/c26-21-19(30-22(27)24-21)10-17-9-16-11-23-12-18(20(16)29-17)15-3-1-2-14(8-15)13-25-4-6-28-7-5-25/h1-3,8-12H,4-7,13H2,(H,24,26,27)/b19-10+
InChIKeyWMBFNYDLUQEWCU-VXLYETTFSA-N
MW421.48 g/mol
LogP3.65
Rot. Bonds4

About (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089731) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089731
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3cncc(-c4cccc(CN5CCOCC5)c4)c3o2)S1
InChIInChI=1S/C22H19N3O4S/c26-21-19(30-22(27)24-21)10-17-9-16-11-23-12-18(20(16)29-17)15-3-1-2-14(8-15)13-25-4-6-28-7-5-25/h1-3,8-12H,4-7,13H2,(H,24,26,27)/b19-10+
InChIKeyWMBFNYDLUQEWCU-VXLYETTFSA-N
XLogP3.65
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridine-2-carbaldehyde
CID 118089280
(5E)-5-[[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090634
(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090301
5-[[7-(3-methylsulfanylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154203928
N-[3-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 118090255
5-[[7-(3-propan-2-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154110495
5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154114414
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090697
ethyl 3-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzoate
CID 154109120
(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-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089927

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089731) is (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc3cncc(-c4cccc(CN5CCOCC5)c4)c3o2)S1.
What is the InChIKey of (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WMBFNYDLUQEWCU-VXLYETTFSA-N. The full InChI is InChI=1S/C22H19N3O4S/c26-21-19(30-22(27)24-21)10-17-9-16-11-23-12-18(20(16)29-17)15-3-1-2-14(8-15)13-25-4-6-28-7-5-25/h1-3,8-12H,4-7,13H2,(H,24,26,27)/b19-10+.
What are the key properties of (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 421.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-[3-(morpholin-4-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).