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

C26H28N6O3S — CID 58796199

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

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58796199) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 58796199
• Molecular Formula: C26H28N6O3S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.19
• IUPAC Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)CN(C)c3ccccc3)c2)c(=O)n1CC
• InChI: InChI=1S/C26H28N6O3S/c1-4-28-24(34)21(15-27)26-32(5-2)25(35)22(36-26)16-29-18-10-9-11-19(14-18)30-23(33)17-31(3)20-12-7-6-8-13-20/h6-14,16,29H,4-5,17H2,1-3H3,(H,28,34)(H,30,33)/b22-16+,26-21-
• InChIKey: KVWIIMOEFPHMIJ-KWXHDPCJSA-N
• XLogP: 1.67
• TPSA: 119.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58796199) is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

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

The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(NC(=O)CN(C)c3ccccc3)c2)c(=O)n1CC.

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

The InChIKey is KVWIIMOEFPHMIJ-KWXHDPCJSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-4-28-24(34)21(15-27)26-32(5-2)25(35)22(36-26)16-29-18-10-9-11-19(14-18)30-23(33)17-31(3)20-12-7-6-8-13-20/h6-14,16,29H,4-5,17H2,1-3H3,(H,28,34)(H,30,33)/b22-16+,26-21-.

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

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 504.62 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[[2-(N-methylanilino)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58796199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).