ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate

C17H20N2O5S — CID 2289625

IUPACethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O
InChIInChI=1S/C17H20N2O5S/c1-2-23-15(20)11-19-16(21)13(25-17(19)22)10-12-6-7-14(24-12)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3/b13-10+
InChIKeyTXUHRMCLKOJDLK-JLHYYAGUSA-N
MW364.42 g/mol
LogP2.87
Rot. Bonds5

About ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate

ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate (PubChem CID 2289625) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
PubChem CID2289625
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O
InChIInChI=1S/C17H20N2O5S/c1-2-23-15(20)11-19-16(21)13(25-17(19)22)10-12-6-7-14(24-12)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3/b13-10+
InChIKeyTXUHRMCLKOJDLK-JLHYYAGUSA-N
XLogP2.87
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 1209895
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1849004
(E)-5-((5-morpholinofuran-2-yl)methylene)-3-propylthiazolidine-2,4-dione
CID 5775469
(5E)-3-[(4-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5791561
Methyl (2,4-dioxo-5-{[5-(1-piperidinyl)-2-furyl]methylene}-1,3-thiazolidin-3-yl)acetate
CID 2177741
Isopropyl (2,4-dioxo-5-{[5-(1-piperidinyl)-2-furyl]methylene}-1,3-thiazolidin-3-yl)acetate
CID 5455271
(5Z)-5-[(5-morpholin-4-yl-2-furyl)methylene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 6511153
(5Z)-3-(4-fluorobenzyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
CID 9551286
(5Z)-5-[(5-morpholin-4-yl-2-furyl)methylene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 16193244
N-(2-fluorophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 2163222
5-{[5-(Diethylamino)-2-furyl]methylene}-3-isopropyl-1,3-thiazolidine-2,4-dione
CID 1209894
2-[(5Z)-4-oxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 1837692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate (CID 2289625) is ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O.
What is the InChIKey of ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The InChIKey is TXUHRMCLKOJDLK-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-2-23-15(20)11-19-16(21)13(25-17(19)22)10-12-6-7-14(24-12)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3/b13-10+.
What are the key properties of ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate has a molecular weight of 364.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5E)-2,4-dioxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 2289625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).