(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile

C28H30N4O2S — CID 35895427

About (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile

(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile (PubChem CID 35895427) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile.

Molecular Properties

• Compound Name: (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
• PubChem CID: 35895427
• Molecular Formula: C28H30N4O2S
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.21
• IUPAC Name: (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
• SMILES: CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(C)cc3C)c(=O)n2-c2ccccc2C)CC1
• InChI: InChI=1S/C28H30N4O2S/c1-5-30-12-14-31(15-13-30)26(33)23(18-29)28-32(24-9-7-6-8-20(24)3)27(34)25(35-28)17-22-11-10-19(2)16-21(22)4/h6-11,16-17H,5,12-15H2,1-4H3/b25-17-,28-23-
• InChIKey: GHDVVBDDAZZZDE-LKEYXPSUSA-N
• XLogP: 2.49
• TPSA: 69.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?

The IUPAC name of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile (CID 35895427) is (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile.

What is the SMILES notation for (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?

The canonical SMILES for (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile is CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(C)cc3C)c(=O)n2-c2ccccc2C)CC1.

What is the InChIKey of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?

The InChIKey is GHDVVBDDAZZZDE-LKEYXPSUSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-5-30-12-14-31(15-13-30)26(33)23(18-29)28-32(24-9-7-6-8-20(24)3)27(34)25(35-28)17-22-11-10-19(2)16-21(22)4/h6-11,16-17H,5,12-15H2,1-4H3/b25-17-,28-23-.

What are the key properties of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile?

(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile has a molecular weight of 486.64 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile is sourced from PubChem (CID 35895427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).