(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C24H28F3N7O3S — CID 58795838

About (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795838) has the molecular formula C24H28F3N7O3S and a molecular weight of 551.60 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]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-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 58795838
• Molecular Formula: C24H28F3N7O3S
• Molecular Weight: 551.60 g/mol
• Exact Mass: 551.19
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(C)CC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C24H28F3N7O3S/c1-3-34-22(37)17(38-23(34)16(11-28)21(36)30-14-24(25,26)27)12-29-18-5-4-6-19(31-18)32-20(35)13-33-9-7-15(2)8-10-33/h4-6,12,15H,3,7-10,13-14H2,1-2H3,(H,30,36)(H2,29,31,32,35)/b17-12+,23-16-
• InChIKey: OMQZFJSCTFFSEY-LJURCCAESA-N
• XLogP: 1.20
• TPSA: 132.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.60
LogP ≤ 5	1.20
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-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]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-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795838) is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]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-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]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-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(C)CC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.

What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is OMQZFJSCTFFSEY-LJURCCAESA-N. The full InChI is InChI=1S/C24H28F3N7O3S/c1-3-34-22(37)17(38-23(34)16(11-28)21(36)30-14-24(25,26)27)12-29-18-5-4-6-19(31-18)32-20(35)13-33-9-7-15(2)8-10-33/h4-6,12,15H,3,7-10,13-14H2,1-2H3,(H,30,36)(H2,29,31,32,35)/b17-12+,23-16-.

What are the key properties of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 551.60 g/mol, XLogP of 1.20, 8 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-[[[6-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).