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

C23H24F3N7O4S — CID 59202909

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

(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 59202909) has the molecular formula C23H24F3N7O4S and a molecular weight of 551.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 59202909
• Molecular Formula: C23H24F3N7O4S
• Molecular Weight: 551.55 g/mol
• Exact Mass: 551.16
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCNC(=O)C3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C23H24F3N7O4S/c1-2-33-21(37)17(38-22(33)16(9-27)20(36)30-13-23(24,25)26)10-29-14-4-3-5-15(8-14)31-19(35)12-32-7-6-28-18(34)11-32/h3-5,8,10,29H,2,6-7,11-13H2,1H3,(H,28,34)(H,30,36)(H,31,35)/b17-10+,22-16-
• InChIKey: WDGLVYRBTFLQRC-VWWGWCDYSA-N
• XLogP: -0.50
• TPSA: 148.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.55
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 59202909) is (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

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

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCNC(=O)C3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.

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

The InChIKey is WDGLVYRBTFLQRC-VWWGWCDYSA-N. The full InChI is InChI=1S/C23H24F3N7O4S/c1-2-33-21(37)17(38-22(33)16(9-27)20(36)30-13-23(24,25)26)10-29-14-4-3-5-15(8-14)31-19(35)12-32-7-6-28-18(34)11-32/h3-5,8,10,29H,2,6-7,11-13H2,1H3,(H,28,34)(H,30,36)(H,31,35)/b17-10+,22-16-.

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

(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 551.55 g/mol, XLogP of -0.50, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 59202909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).