ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C25H23N3O4S — CID 2468681

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

ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2468681) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2468681
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.14
• IUPAC Name: ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)Nc1cccc(C)c1C
• InChI: InChI=1S/C25H23N3O4S/c1-4-32-24(30)13-23-28(15-22(29)27-20-7-5-6-16(2)17(20)3)25(31)21(33-23)12-18-8-10-19(14-26)11-9-18/h5-13H,4,15H2,1-3H3,(H,27,29)/b21-12-,23-13-
• InChIKey: DJTRBWDKNXWZJF-JNCKMVCSSA-N
• XLogP: 2.21
• TPSA: 101.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

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

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

The canonical SMILES for ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-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)Nc1cccc(C)c1C.

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

The InChIKey is DJTRBWDKNXWZJF-JNCKMVCSSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-4-32-24(30)13-23-28(15-22(29)27-20-7-5-6-16(2)17(20)3)25(31)21(33-23)12-18-8-10-19(14-26)11-9-18/h5-13H,4,15H2,1-3H3,(H,27,29)/b21-12-,23-13-.

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

ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 461.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2468681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).