(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

C25H16ClN3O3S — CID 56969931

About (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 56969931) has the molecular formula C25H16ClN3O3S and a molecular weight of 473.94 g/mol. Its IUPAC name is (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 56969931
• Molecular Formula: C25H16ClN3O3S
• Molecular Weight: 473.94 g/mol
• Exact Mass: 473.06
• IUPAC Name: (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2O)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C25H16ClN3O3S/c26-17-10-12-18(13-11-17)28-23(31)20(15-27)25-29(19-7-2-1-3-8-19)24(32)22(33-25)14-16-6-4-5-9-21(16)30/h1-14,30H,(H,28,31)/b22-14-,25-20-
• InChIKey: RMQZMPJGTYRYMX-RXTWNLTASA-N
• XLogP: 3.40
• TPSA: 95.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.94
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 56969931) is (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

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

The canonical SMILES for (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2O)c(=O)n1-c1ccccc1.

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

The InChIKey is RMQZMPJGTYRYMX-RXTWNLTASA-N. The full InChI is InChI=1S/C25H16ClN3O3S/c26-17-10-12-18(13-11-17)28-23(31)20(15-27)25-29(19-7-2-1-3-8-19)24(32)22(33-25)14-16-6-4-5-9-21(16)30/h1-14,30H,(H,28,31)/b22-14-,25-20-.

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

(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 473.94 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 56969931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).