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

C24H27F3N6O4S — CID 70918585

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

2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 70918585) has the molecular formula C24H27F3N6O4S and a molecular weight of 552.58 g/mol. Its IUPAC name is 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 70918585
• Molecular Formula: C24H27F3N6O4S
• Molecular Weight: 552.58 g/mol
• Exact Mass: 552.18
• IUPAC Name: 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=C(C#N)C(=O)NCC(F)(F)F)sc(=CNc2cccc(NC(=O)CN3COCC3(C)C)c2)c1=O
• InChI: InChI=1S/C24H27F3N6O4S/c1-4-33-21(36)18(38-22(33)17(9-28)20(35)30-12-24(25,26)27)10-29-15-6-5-7-16(8-15)31-19(34)11-32-14-37-13-23(32,2)3/h5-8,10,29H,4,11-14H2,1-3H3,(H,30,35)(H,31,34)
• InChIKey: FIZDTIVYEGIBPJ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 128.49 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	552.58
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 70918585) is 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

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

The canonical SMILES for 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=C(C#N)C(=O)NCC(F)(F)F)sc(=CNc2cccc(NC(=O)CN3COCC3(C)C)c2)c1=O.

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

The InChIKey is FIZDTIVYEGIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O4S/c1-4-33-21(36)18(38-22(33)17(9-28)20(35)30-12-24(25,26)27)10-29-15-6-5-7-16(8-15)31-19(34)11-32-14-37-13-23(32,2)3/h5-8,10,29H,4,11-14H2,1-3H3,(H,30,35)(H,31,34).

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

2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 552.58 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-2-[5-[[3-[[2-(4,4-dimethyl-1,3-oxazolidin-3-yl)acetyl]amino]anilino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 70918585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).