2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide

C19H13N3O3S2 — CID 24619298

IUPAC2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc2ncccc12
InChIInChI=1S/C19H13N3O3S2/c23-17(21-15-7-1-6-14-13(15)5-2-8-20-14)11-22-18(24)16(27-19(22)25)10-12-4-3-9-26-12/h1-10H,11H2,(H,21,23)/b16-10-
InChIKeyXGYHRWAKKHLMIS-YBEGLDIGSA-N
MW395.47 g/mol
LogP3.97
Rot. Bonds4

About 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide

2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide (PubChem CID 24619298) has the molecular formula C19H13N3O3S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide
PubChem CID24619298
Molecular FormulaC19H13N3O3S2
Molecular Weight395.47 g/mol
Exact Mass395.04
IUPAC Name2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc2ncccc12
InChIInChI=1S/C19H13N3O3S2/c23-17(21-15-7-1-6-14-13(15)5-2-8-20-14)11-22-18(24)16(27-19(22)25)10-12-4-3-9-26-12/h1-10H,11H2,(H,21,23)/b16-10-
InChIKeyXGYHRWAKKHLMIS-YBEGLDIGSA-N
XLogP3.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
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

2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 1232118
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 24619196
N-naphthalen-1-yl-2-[(5E)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126367216
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 51143857
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-quinolin-5-ylacetamide
CID 92863277
N-cyclopropyl-2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 42261514
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 24619270
N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
CID 4503233
(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 42263045
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55359336
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 51177293

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide (CID 24619298) is 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide is O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide?
The InChIKey is XGYHRWAKKHLMIS-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H13N3O3S2/c23-17(21-15-7-1-6-14-13(15)5-2-8-20-14)11-22-18(24)16(27-19(22)25)10-12-4-3-9-26-12/h1-10H,11H2,(H,21,23)/b16-10-.
What are the key properties of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide?
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide has a molecular weight of 395.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 24619298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).