(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H16ClF2NO3S — CID 2720008

About (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2720008) has the molecular formula C24H16ClF2NO3S and a molecular weight of 471.91 g/mol. Its IUPAC name is (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 2720008
• Molecular Formula: C24H16ClF2NO3S
• Molecular Weight: 471.91 g/mol
• Exact Mass: 471.05
• IUPAC Name: (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl
• InChI: InChI=1S/C24H16ClF2NO3S/c25-20-2-1-3-21(27)19(20)13-28-23(29)22(32-24(28)30)12-15-6-10-18(11-7-15)31-14-16-4-8-17(26)9-5-16/h1-12H,13-14H2/b22-12-
• InChIKey: NHCBOIYPBJNVOY-UUYOSTAYSA-N
• XLogP: 6.43
• TPSA: 46.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.91
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 2720008) is (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

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

The canonical SMILES for (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl.

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

The InChIKey is NHCBOIYPBJNVOY-UUYOSTAYSA-N. The full InChI is InChI=1S/C24H16ClF2NO3S/c25-20-2-1-3-21(27)19(20)13-28-23(29)22(32-24(28)30)12-15-6-10-18(11-7-15)31-14-16-4-8-17(26)9-5-16/h1-12H,13-14H2/b22-12-.

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

(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 471.91 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2720008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).