(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C24H29F3N6O4S — CID 58796637

About (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58796637) has the molecular formula C24H29F3N6O4S and a molecular weight of 554.60 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 58796637
• Molecular Formula: C24H29F3N6O4S
• Molecular Weight: 554.60 g/mol
• Exact Mass: 554.19
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCN(CCOC)CC(=O)Nc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCC(F)(F)F)n(CC)c2=O)c1
• InChI: InChI=1S/C24H29F3N6O4S/c1-4-32(9-10-37-3)14-20(34)31-17-8-6-7-16(11-17)29-13-19-22(36)33(5-2)23(38-19)18(12-28)21(35)30-15-24(25,26)27/h6-8,11,13,29H,4-5,9-10,14-15H2,1-3H3,(H,30,35)(H,31,34)/b19-13+,23-18-
• InChIKey: BFLKCRGHHPPEDP-MKCGWUKHSA-N
• XLogP: 1.04
• TPSA: 128.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.60
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58796637) is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CCOC)CC(=O)Nc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCC(F)(F)F)n(CC)c2=O)c1.

What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is BFLKCRGHHPPEDP-MKCGWUKHSA-N. The full InChI is InChI=1S/C24H29F3N6O4S/c1-4-32(9-10-37-3)14-20(34)31-17-8-6-7-16(11-17)29-13-19-22(36)33(5-2)23(38-19)18(12-28)21(35)30-15-24(25,26)27/h6-8,11,13,29H,4-5,9-10,14-15H2,1-3H3,(H,30,35)(H,31,34)/b19-13+,23-18-.

What are the key properties of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 554.60 g/mol, XLogP of 1.04, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-[ethyl(2-methoxyethyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).