ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate

C23H28N2O6S — CID 132614064

IUPACethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2ccc(OCC)cc2)c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C23H28N2O6S/c1-3-29-17-9-7-16(8-10-17)12-19-23(28)25(21(32-19)13-22(27)30-4-2)15-20(26)24-14-18-6-5-11-31-18/h7-10,12-13,18H,3-6,11,14-15H2,1-2H3,(H,24,26)/b19-12+,21-13-
InChIKeyNJVQERVUTHXUTQ-VVPWPQJISA-N
MW460.55 g/mol
LogP0.78
Rot. Bonds9

About ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 132614064) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID132614064
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Nameethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2ccc(OCC)cc2)c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C23H28N2O6S/c1-3-29-17-9-7-16(8-10-17)12-19-23(28)25(21(32-19)13-22(27)30-4-2)15-20(26)24-14-18-6-5-11-31-18/h7-10,12-13,18H,3-6,11,14-15H2,1-2H3,(H,24,26)/b19-12+,21-13-
InChIKeyNJVQERVUTHXUTQ-VVPWPQJISA-N
XLogP0.78
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Related Compounds

ethyl (2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 6389517
ethyl 2-[4-[(Z)-[2,4-dioxo-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 126215025
ethyl (2Z)-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 6223818
ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 2091370
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
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
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
ethyl (2E)-2-[(5E)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 98392094
ethyl (2Z)-2-[(5Z)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 2530554
2-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3630200
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2097572

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of 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) is ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C/c2ccc(OCC)cc2)c(=O)n1CC(=O)NCC1CCCO1.
What is the InChIKey of ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is NJVQERVUTHXUTQ-VVPWPQJISA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-3-29-17-9-7-16(8-10-17)12-19-23(28)25(21(32-19)13-22(27)30-4-2)15-20(26)24-14-18-6-5-11-31-18/h7-10,12-13,18H,3-6,11,14-15H2,1-2H3,(H,24,26)/b19-12+,21-13-.
What are the key properties of ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 460.55 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 132614064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).