(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

C14H14N2O4S2 — CID 124664018

IUPAC(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)N1CCOCC1
InChIInChI=1S/C14H14N2O4S2/c17-12(15-2-4-20-5-3-15)8-16-13(18)11(22-14(16)19)7-10-1-6-21-9-10/h1,6-7,9H,2-5,8H2/b11-7+
InChIKeyURHLAGXINTWLLO-YRNVUSSQSA-N
MW338.41 g/mol
LogP1.64
Rot. Bonds3

About (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 124664018) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID124664018
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)N1CCOCC1
InChIInChI=1S/C14H14N2O4S2/c17-12(15-2-4-20-5-3-15)8-16-13(18)11(22-14(16)19)7-10-1-6-21-9-10/h1,6-7,9H,2-5,8H2/b11-7+
InChIKeyURHLAGXINTWLLO-YRNVUSSQSA-N
XLogP1.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.64
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

(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 6146270
4-[(E)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 1232215
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664144
(5E)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126154517
(5E)-5-[(2-bromophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664015
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 2041324
5-[[4-(diethylamino)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 3420761
(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124654463
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124654470
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664121
5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 2930007
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 16633078

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 124664018) is (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)N1CCOCC1.
What is the InChIKey of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is URHLAGXINTWLLO-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c17-12(15-2-4-20-5-3-15)8-16-13(18)11(22-14(16)19)7-10-1-6-21-9-10/h1,6-7,9H,2-5,8H2/b11-7+.
What are the key properties of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 124664018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).