ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C20H21ClN2O5S — CID 2461430

About ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2461430) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2461430
• Molecular Formula: C20H21ClN2O5S
• Molecular Weight: 436.92 g/mol
• Exact Mass: 436.09
• IUPAC Name: ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1CC(=O)N1CCOCC1
• InChI: InChI=1S/C20H21ClN2O5S/c1-2-28-19(25)12-18-23(13-17(24)22-7-9-27-10-8-22)20(26)16(29-18)11-14-3-5-15(21)6-4-14/h3-6,11-12H,2,7-10,13H2,1H3/b16-11+,18-12-
• InChIKey: ODALZYQKYRWGQL-JASSCNTNSA-N
• XLogP: 0.59
• TPSA: 77.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.92
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2461430) is ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1CC(=O)N1CCOCC1.

What is the InChIKey of ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is ODALZYQKYRWGQL-JASSCNTNSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-2-28-19(25)12-18-23(13-17(24)22-7-9-27-10-8-22)20(26)16(29-18)11-14-3-5-15(21)6-4-14/h3-6,11-12H,2,7-10,13H2,1H3/b16-11+,18-12-.

What are the key properties of ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 436.92 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2461430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).