(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

C23H21ClN4O4S — CID 135968353

About (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 135968353) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
• PubChem CID: 135968353
• Molecular Formula: C23H21ClN4O4S
• Molecular Weight: 484.97 g/mol
• Exact Mass: 484.10
• IUPAC Name: (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
• SMILES: O=C(CN1C(=O)S/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)C1=O)N1CCCCC1
• InChI: InChI=1S/C23H21ClN4O4S/c24-17-6-2-3-7-18(17)26-25-16-8-9-19(29)15(12-16)13-20-22(31)28(23(32)33-20)14-21(30)27-10-4-1-5-11-27/h2-3,6-9,12-13,29H,1,4-5,10-11,14H2/b20-13-,26-25+
• InChIKey: WDSMUCOFXISWAN-CEBKJOGBSA-N
• XLogP: 5.51
• TPSA: 102.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.97
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (CID 135968353) is (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)C1=O)N1CCCCC1.

What is the InChIKey of (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?

The InChIKey is WDSMUCOFXISWAN-CEBKJOGBSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c24-17-6-2-3-7-18(17)26-25-16-8-9-19(29)15(12-16)13-20-22(31)28(23(32)33-20)14-21(30)27-10-4-1-5-11-27/h2-3,6-9,12-13,29H,1,4-5,10-11,14H2/b20-13-,26-25+.

What are the key properties of (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 484.97 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 135968353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).