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

C20H22F3N7O3S — CID 58795857

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

(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795857) has the molecular formula C20H22F3N7O3S and a molecular weight of 497.50 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 58795857
• Molecular Formula: C20H22F3N7O3S
• Molecular Weight: 497.50 g/mol
• Exact Mass: 497.15
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN(C)C)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C20H22F3N7O3S/c1-4-30-18(33)13(34-19(30)12(8-24)17(32)26-11-20(21,22)23)9-25-14-6-5-7-15(27-14)28-16(31)10-29(2)3/h5-7,9H,4,10-11H2,1-3H3,(H,26,32)(H2,25,27,28,31)/b13-9+,19-12-
• InChIKey: AJZIJTNUWKKSBJ-MUBZEWRFSA-N
• XLogP: 0.03
• TPSA: 132.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.50
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795857) is (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN(C)C)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.

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

The InChIKey is AJZIJTNUWKKSBJ-MUBZEWRFSA-N. The full InChI is InChI=1S/C20H22F3N7O3S/c1-4-30-18(33)13(34-19(30)12(8-24)17(32)26-11-20(21,22)23)9-25-14-6-5-7-15(27-14)28-16(31)10-29(2)3/h5-7,9H,4,10-11H2,1-3H3,(H,26,32)(H2,25,27,28,31)/b13-9+,19-12-.

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

(2Z)-2-cyano-2-[(5E)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 497.50 g/mol, XLogP of 0.03, 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)-5-[[[6-[[2-(dimethylamino)acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).