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

C22H26N2O6S — CID 24582981

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

ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 24582981) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 24582981
• Molecular Formula: C22H26N2O6S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.15
• IUPAC Name: ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)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(OC)c(C)c2)c(=O)n1CC(=O)N1CCOCC1
• InChI: InChI=1S/C22H26N2O6S/c1-4-30-21(26)13-20-24(14-19(25)23-7-9-29-10-8-23)22(27)18(31-20)12-16-5-6-17(28-3)15(2)11-16/h5-6,11-13H,4,7-10,14H2,1-3H3/b18-12-,20-13-
• InChIKey: SZCRWJLQVSLVJT-CKBZXIGASA-N
• XLogP: 0.26
• TPSA: 87.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 24582981) is ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)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-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)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(OC)c(C)c2)c(=O)n1CC(=O)N1CCOCC1.

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

The InChIKey is SZCRWJLQVSLVJT-CKBZXIGASA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-4-30-21(26)13-20-24(14-19(25)23-7-9-29-10-8-23)22(27)18(31-20)12-16-5-6-17(28-3)15(2)11-16/h5-6,11-13H,4,7-10,14H2,1-3H3/b18-12-,20-13-.

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

ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 446.53 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 24582981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).