2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C21H15N3O3S — CID 8653272

About 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8653272) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 8653272
• Molecular Formula: C21H15N3O3S
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.08
• IUPAC Name: 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: COc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccccc3OC)c2=O)cc1
• InChI: InChI=1S/C21H15N3O3S/c1-26-17-9-7-16(8-10-17)24-20(25)19(28-21(24)15(12-22)13-23)11-14-5-3-4-6-18(14)27-2/h3-11H,1-2H3/b19-11+
• InChIKey: BBRPOKVNIGOHOB-YBFXNURJSA-N
• XLogP: 1.94
• TPSA: 88.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

The IUPAC name of 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8653272) is 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

What is the SMILES notation for 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

The canonical SMILES for 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is COc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccccc3OC)c2=O)cc1.

What is the InChIKey of 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

The InChIKey is BBRPOKVNIGOHOB-YBFXNURJSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-26-17-9-7-16(8-10-17)24-20(25)19(28-21(24)15(12-22)13-23)11-14-5-3-4-6-18(14)27-2/h3-11H,1-2H3/b19-11+.

What are the key properties of 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?

2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 389.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8653272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).