2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide

C23H20ClN5O5S — CID 167837770

About 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide

2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide (PubChem CID 167837770) has the molecular formula C23H20ClN5O5S and a molecular weight of 513.96 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide
• PubChem CID: 167837770
• Molecular Formula: C23H20ClN5O5S
• Molecular Weight: 513.96 g/mol
• Exact Mass: 513.09
• IUPAC Name: 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide
• SMILES: N#Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(O)cc3)C(=O)N2CCN2CCOC2=O)cc1Cl
• InChI: InChI=1S/C23H20ClN5O5S/c24-18-11-16(2-1-14(18)13-25)27-22-29(8-7-28-9-10-34-23(28)33)21(32)19(35-22)12-20(31)26-15-3-5-17(30)6-4-15/h1-6,11,19,30H,7-10,12H2,(H,26,31)/b27-22-
• InChIKey: BHVFXDZAGXQRFB-QYQHSDTDSA-N
• XLogP: 3.33
• TPSA: 135.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.96
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide?

The IUPAC name of 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide (CID 167837770) is 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide.

What is the SMILES notation for 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide?

The canonical SMILES for 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide is N#Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(O)cc3)C(=O)N2CCN2CCOC2=O)cc1Cl.

What is the InChIKey of 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide?

The InChIKey is BHVFXDZAGXQRFB-QYQHSDTDSA-N. The full InChI is InChI=1S/C23H20ClN5O5S/c24-18-11-16(2-1-14(18)13-25)27-22-29(8-7-28-9-10-34-23(28)33)21(32)19(35-22)12-20(31)26-15-3-5-17(30)6-4-15/h1-6,11,19,30H,7-10,12H2,(H,26,31)/b27-22-.

What are the key properties of 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide?

2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 513.96 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 167837770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).