(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

C19H20N2O5S — CID 126143642

IUPAC(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H20N2O5S/c1-25-15-7-5-14(6-8-15)3-2-4-16-18(23)21(19(24)27-16)13-17(22)20-9-11-26-12-10-20/h2-8H,9-13H2,1H3/b3-2+,16-4+
InChIKeyVYYJSXCDARDWSJ-PCSFBJKQSA-N
MW388.45 g/mol
LogP2.15
Rot. Bonds5

About (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126143642) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
PubChem CID126143642
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H20N2O5S/c1-25-15-7-5-14(6-8-15)3-2-4-16-18(23)21(19(24)27-16)13-17(22)20-9-11-26-12-10-20/h2-8H,9-13H2,1H3/b3-2+,16-4+
InChIKeyVYYJSXCDARDWSJ-PCSFBJKQSA-N
XLogP2.15
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
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

ethyl 2-[(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2180071
(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124547389
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 2912315
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664144
(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124654463
5-[[4-(diethylamino)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 3420761
4-[(E)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 1232215
5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 2940284
(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124665831
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 4620986
(5E)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124665733
(5Z)-3-ethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6391422

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione (CID 126143642) is (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is VYYJSXCDARDWSJ-PCSFBJKQSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-25-15-7-5-14(6-8-15)3-2-4-16-18(23)21(19(24)27-16)13-17(22)20-9-11-26-12-10-20/h2-8H,9-13H2,1H3/b3-2+,16-4+.
What are the key properties of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 388.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126143642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).