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

C22H26F3N7O3S — CID 58795967

About (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-[methyl(propyl)amino]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-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795967) has the molecular formula C22H26F3N7O3S and a molecular weight of 525.56 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-[methyl(propyl)amino]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-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 58795967
• Molecular Formula: C22H26F3N7O3S
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.18
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCCN(C)CC(=O)Nc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCC(F)(F)F)n(CC)c2=O)n1
• InChI: InChI=1S/C22H26F3N7O3S/c1-4-9-31(3)12-18(33)30-17-8-6-7-16(29-17)27-11-15-20(35)32(5-2)21(36-15)14(10-26)19(34)28-13-22(23,24)25/h6-8,11H,4-5,9,12-13H2,1-3H3,(H,28,34)(H2,27,29,30,33)/b15-11+,21-14-
• InChIKey: UANBYLDIVIGWHT-GABASWGZSA-N
• XLogP: 0.81
• TPSA: 132.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	0.81
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-[methyl(propyl)amino]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-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795967) is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-[methyl(propyl)amino]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-[methyl(propyl)amino]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-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCCN(C)CC(=O)Nc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCC(F)(F)F)n(CC)c2=O)n1.

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

The InChIKey is UANBYLDIVIGWHT-GABASWGZSA-N. The full InChI is InChI=1S/C22H26F3N7O3S/c1-4-9-31(3)12-18(33)30-17-8-6-7-16(29-17)27-11-15-20(35)32(5-2)21(36-15)14(10-26)19(34)28-13-22(23,24)25/h6-8,11H,4-5,9,12-13H2,1-3H3,(H,28,34)(H2,27,29,30,33)/b15-11+,21-14-.

What are the key properties of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[[2-[methyl(propyl)amino]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-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 525.56 g/mol, XLogP of 0.81, 10 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-[methyl(propyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).