(5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

C20H11Cl2NO4S — CID 155812185

About (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 155812185) has the molecular formula C20H11Cl2NO4S and a molecular weight of 432.28 g/mol. Its IUPAC name is (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 155812185
• Molecular Formula: C20H11Cl2NO4S
• Molecular Weight: 432.28 g/mol
• Exact Mass: 430.98
• IUPAC Name: (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1cc(=O)oc2ccc(Cl)cc12
• InChI: InChI=1S/C20H11Cl2NO4S/c21-13-3-1-11(2-4-13)7-17-19(25)23(20(26)28-17)10-12-8-18(24)27-16-6-5-14(22)9-15(12)16/h1-9H,10H2/b17-7-
• InChIKey: KANARXPJKBHCMU-IDUWFGFVSA-N
• XLogP: 5.34
• TPSA: 67.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.28
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', '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)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 155812185) is (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1cc(=O)oc2ccc(Cl)cc12.

What is the InChIKey of (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is KANARXPJKBHCMU-IDUWFGFVSA-N. The full InChI is InChI=1S/C20H11Cl2NO4S/c21-13-3-1-11(2-4-13)7-17-19(25)23(20(26)28-17)10-12-8-18(24)27-16-6-5-14(22)9-15(12)16/h1-9H,10H2/b17-7-.

What are the key properties of (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 432.28 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155812185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).