ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C22H19N3O5S — CID 74766451

IUPACethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)NCc1ccco1
InChIInChI=1S/C22H19N3O5S/c1-2-29-21(27)11-20-25(14-19(26)24-13-17-4-3-9-30-17)22(28)18(31-20)10-15-5-7-16(12-23)8-6-15/h3-11H,2,13-14H2,1H3,(H,24,26)/b18-10+,20-11+
InChIKeyUOAWINFZDMNICQ-BFLVDURVSA-N
MW437.48 g/mol
LogP0.86
Rot. Bonds7

About ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 74766451) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID74766451
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Nameethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)NCc1ccco1
InChIInChI=1S/C22H19N3O5S/c1-2-29-21(27)11-20-25(14-19(26)24-13-17-4-3-9-30-17)22(28)18(31-20)10-15-5-7-16(12-23)8-6-15/h3-11H,2,13-14H2,1H3,(H,24,26)/b18-10+,20-11+
InChIKeyUOAWINFZDMNICQ-BFLVDURVSA-N
XLogP0.86
TPSA114.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Related Compounds

ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2530567
ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2468681
ethyl (2Z)-2-[(5E)-5-[(4-methylsulfanylphenyl)methylidene]-4-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 2485219
methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3610770
ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 132614064
ethyl (2Z)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetate
CID 8814841
ethyl (2Z)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetate
CID 2530329
ethyl (2E)-2-[(5E)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 98392094
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(furan-2-ylmethyl)acetamide
CID 82099379
ethyl (2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 7973447
ethyl (2E)-2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2472539
ethyl (2Z)-2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2472541

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 74766451) is ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)NCc1ccco1.
What is the InChIKey of ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is UOAWINFZDMNICQ-BFLVDURVSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-2-29-21(27)11-20-25(14-19(26)24-13-17-4-3-9-30-17)22(28)18(31-20)10-15-5-7-16(12-23)8-6-15/h3-11H,2,13-14H2,1H3,(H,24,26)/b18-10+,20-11+.
What are the key properties of ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 437.48 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 74766451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).