2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C23H30N6O4S — CID 70918489

About 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 70918489) has the molecular formula C23H30N6O4S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 70918489
• Molecular Formula: C23H30N6O4S
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.20
• IUPAC Name: 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN(C)CCOC)c2)c(=O)n1CC
• InChI: InChI=1S/C23H30N6O4S/c1-5-25-21(31)18(13-24)23-29(6-2)22(32)19(34-23)14-26-16-8-7-9-17(12-16)27-20(30)15-28(3)10-11-33-4/h7-9,12,14,26H,5-6,10-11,15H2,1-4H3,(H,25,31)(H,27,30)
• InChIKey: NLDZKZSTNYGLJY-UHFFFAOYSA-N
• XLogP: 0.11
• TPSA: 128.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 70918489) is 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

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

The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN(C)CCOC)c2)c(=O)n1CC.

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

The InChIKey is NLDZKZSTNYGLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4S/c1-5-25-21(31)18(13-24)23-29(6-2)22(32)19(34-23)14-26-16-8-7-9-17(12-16)27-20(30)15-28(3)10-11-33-4/h7-9,12,14,26H,5-6,10-11,15H2,1-4H3,(H,25,31)(H,27,30).

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

2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 486.60 g/mol, XLogP of 0.11, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[2-methoxyethyl(methyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 70918489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).