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

C27H28N2O6S — CID 2091370

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

ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2091370) has the molecular formula C27H28N2O6S and a molecular weight of 508.60 g/mol. Its IUPAC name is ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2091370
• Molecular Formula: C27H28N2O6S
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.17
• IUPAC Name: ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1/s/c(=C\c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1
• InChI: InChI=1S/C27H28N2O6S/c1-2-34-26(31)17-25-29(18-24(30)28-12-14-33-15-13-28)27(32)23(36-25)16-20-8-10-22(11-9-20)35-19-21-6-4-3-5-7-21/h3-11,16-17H,2,12-15,18-19H2,1H3/b23-16-,25-17+
• InChIKey: ULMUPZZWZLDALZ-OUOMKMOXSA-N
• XLogP: 1.52
• TPSA: 87.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

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

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

The canonical SMILES for ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1/s/c(=C\c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1.

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

The InChIKey is ULMUPZZWZLDALZ-OUOMKMOXSA-N. The full InChI is InChI=1S/C27H28N2O6S/c1-2-34-26(31)17-25-29(18-24(30)28-12-14-33-15-13-28)27(32)23(36-25)16-20-8-10-22(11-9-20)35-19-21-6-4-3-5-7-21/h3-11,16-17H,2,12-15,18-19H2,1H3/b23-16-,25-17+.

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

ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 508.60 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E)-2-[(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).