2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide

C17H18N4O2S — CID 76841542

IUPAC2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide
SMILESCCNC(=O)C(C#N)=c1sc(=CNc2ccccc2)c(=O)n1CC
InChIInChI=1S/C17H18N4O2S/c1-3-19-15(22)13(10-18)17-21(4-2)16(23)14(24-17)11-20-12-8-6-5-7-9-12/h5-9,11,20H,3-4H2,1-2H3,(H,19,22)
InChIKeyKTCUPUVATNIWBZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.59
Rot. Bonds5

About 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide

2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide (PubChem CID 76841542) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide
PubChem CID76841542
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide
SMILESCCNC(=O)C(C#N)=c1sc(=CNc2ccccc2)c(=O)n1CC
InChIInChI=1S/C17H18N4O2S/c1-3-19-15(22)13(10-18)17-21(4-2)16(23)14(24-17)11-20-12-8-6-5-7-9-12/h5-9,11,20H,3-4H2,1-2H3,(H,19,22)
InChIKeyKTCUPUVATNIWBZ-UHFFFAOYSA-N
XLogP0.59
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-(hydroxymethyl)anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58796280
ethyl (2Z)-2-[(5Z)-5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 2524905
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58796199
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58795957
(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(2-methoxyethoxy)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58813070
2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 70918488
(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide
CID 71207823
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 91372698
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 90828726
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide
CID 71210782
[4-(hydroxymethyl)phenyl] 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 76841551
2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 70918489

Frequently Asked Questions

What is the IUPAC name of 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide?
The IUPAC name of 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide (CID 76841542) is 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide.
What is the SMILES notation for 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide?
The canonical SMILES for 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide is CCNC(=O)C(C#N)=c1sc(=CNc2ccccc2)c(=O)n1CC.
What is the InChIKey of 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide?
The InChIKey is KTCUPUVATNIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-19-15(22)13(10-18)17-21(4-2)16(23)14(24-17)11-20-12-8-6-5-7-9-12/h5-9,11,20H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide?
2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide has a molecular weight of 342.42 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-ethylacetamide is sourced from PubChem (CID 76841542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).