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

C20H13N3O2S — CID 86775998

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

2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 86775998) has the molecular formula C20H13N3O2S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• PubChem CID: 86775998
• Molecular Formula: C20H13N3O2S
• Molecular Weight: 359.41 g/mol
• Exact Mass: 359.07
• IUPAC Name: 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
• SMILES: COc1ccccc1-n1c(=C(C#N)C#N)s/c(=C\c2ccccc2)c1=O
• InChI: InChI=1S/C20H13N3O2S/c1-25-17-10-6-5-9-16(17)23-19(24)18(11-14-7-3-2-4-8-14)26-20(23)15(12-21)13-22/h2-11H,1H3/b18-11-
• InChIKey: DWRQXZSGHHPRGH-WQRHYEAKSA-N
• XLogP: 1.93
• TPSA: 78.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.41
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 86775998) is 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

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

The canonical SMILES for 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is COc1ccccc1-n1c(=C(C#N)C#N)s/c(=C\c2ccccc2)c1=O.

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

The InChIKey is DWRQXZSGHHPRGH-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H13N3O2S/c1-25-17-10-6-5-9-16(17)23-19(24)18(11-14-7-3-2-4-8-14)26-20(23)15(12-21)13-22/h2-11H,1H3/b18-11-.

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

2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 359.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 86775998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).