(2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide

C28H22FN3O3S — CID 2563561

About (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2563561) has the molecular formula C28H22FN3O3S and a molecular weight of 499.57 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 2563561
• Molecular Formula: C28H22FN3O3S
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.14
• IUPAC Name: (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: COc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)Nc2ccccc2F)n(CCc2ccccc2)c1=O
• InChI: InChI=1S/C28H22FN3O3S/c1-35-24-14-8-5-11-20(24)17-25-27(34)32(16-15-19-9-3-2-4-10-19)28(36-25)21(18-30)26(33)31-23-13-7-6-12-22(23)29/h2-14,17H,15-16H2,1H3,(H,31,33)/b25-17-,28-21-
• InChIKey: HWSMEPSFRXRWDO-YVYXVDBASA-N
• XLogP: 3.44
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide (CID 2563561) is (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide is COc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)Nc2ccccc2F)n(CCc2ccccc2)c1=O.

What is the InChIKey of (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is HWSMEPSFRXRWDO-YVYXVDBASA-N. The full InChI is InChI=1S/C28H22FN3O3S/c1-35-24-14-8-5-11-20(24)17-25-27(34)32(16-15-19-9-3-2-4-10-19)28(36-25)21(18-30)26(33)31-23-13-7-6-12-22(23)29/h2-14,17H,15-16H2,1H3,(H,31,33)/b25-17-,28-21-.

What are the key properties of (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 499.57 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-(2-fluorophenyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2563561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).