(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide

C16H18N3O4S+ — CID 7348794

IUPAC(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide
SMILESO=C(/C=C1\SC(=O)N(C[NH+]2CCOCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C16H17N3O4S/c20-14(17-12-4-2-1-3-5-12)10-13-15(21)19(16(22)24-13)11-18-6-8-23-9-7-18/h1-5,10H,6-9,11H2,(H,17,20)/p+1/b13-10-
InChIKeyJJEVMGYBDOQENT-RAXLEYEMSA-O
MW348.40 g/mol
LogP0.08
Rot. Bonds4

About (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide

(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide (PubChem CID 7348794) has the molecular formula C16H18N3O4S+ and a molecular weight of 348.40 g/mol. Its IUPAC name is (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide
PubChem CID7348794
Molecular FormulaC16H18N3O4S+
Molecular Weight348.40 g/mol
Exact Mass348.10
IUPAC Name(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide
SMILESO=C(/C=C1\SC(=O)N(C[NH+]2CCOCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C16H17N3O4S/c20-14(17-12-4-2-1-3-5-12)10-13-15(21)19(16(22)24-13)11-18-6-8-23-9-7-18/h1-5,10H,6-9,11H2,(H,17,20)/p+1/b13-10-
InChIKeyJJEVMGYBDOQENT-RAXLEYEMSA-O
XLogP0.08
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide with MolForge

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Related Compounds

(5Z)-5-benzylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 2243744
2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1416690
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(morpholin-4-ium-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6991650
2-[2,4-dioxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232148
2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1388288
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 5263562
2-[5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232158
(5Z)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2039441
2-[(5Z)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 126258544
2-[(5E)-5-[(2-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 124654317
1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione
CID 7911108

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide?
The IUPAC name of (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide (CID 7348794) is (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide.
What is the SMILES notation for (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide?
The canonical SMILES for (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide is O=C(/C=C1\SC(=O)N(C[NH+]2CCOCC2)C1=O)Nc1ccccc1.
What is the InChIKey of (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide?
The InChIKey is JJEVMGYBDOQENT-RAXLEYEMSA-O. The full InChI is InChI=1S/C16H17N3O4S/c20-14(17-12-4-2-1-3-5-12)10-13-15(21)19(16(22)24-13)11-18-6-8-23-9-7-18/h1-5,10H,6-9,11H2,(H,17,20)/p+1/b13-10-.
What are the key properties of (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide?
(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide has a molecular weight of 348.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide is sourced from PubChem (CID 7348794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).