(2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile

C24H17FN4O3S — CID 97288874

About (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile

(2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile (PubChem CID 97288874) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile.

Molecular Properties

• Compound Name: (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
• PubChem CID: 97288874
• Molecular Formula: C24H17FN4O3S
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.10
• IUPAC Name: (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
• SMILES: COc1ccc(-n2c(=O)/c(=C/c3cnn(C)c3)s/c2=C(/C#N)C(=O)c2ccccc2F)cc1
• InChI: InChI=1S/C24H17FN4O3S/c1-28-14-15(13-27-28)11-21-23(31)29(16-7-9-17(32-2)10-8-16)24(33-21)19(12-26)22(30)18-5-3-4-6-20(18)25/h3-11,13-14H,1-2H3/b21-11-,24-19-
• InChIKey: UNARBQRVOHIWIC-ZEYXQQNLSA-N
• XLogP: 2.17
• TPSA: 89.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile (CID 97288874) is (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile.

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

The canonical SMILES for (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile is COc1ccc(-n2c(=O)/c(=C/c3cnn(C)c3)s/c2=C(/C#N)C(=O)c2ccccc2F)cc1.

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

The InChIKey is UNARBQRVOHIWIC-ZEYXQQNLSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c1-28-14-15(13-27-28)11-21-23(31)29(16-7-9-17(32-2)10-8-16)24(33-21)19(12-26)22(30)18-5-3-4-6-20(18)25/h3-11,13-14H,1-2H3/b21-11-,24-19-.

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

(2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile has a molecular weight of 460.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-3-(2-fluorophenyl)-2-[(5Z)-3-(4-methoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile is sourced from PubChem (CID 97288874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).