(5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C24H17F3N2O2S — CID 164612255

About (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

(5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 164612255) has the molecular formula C24H17F3N2O2S and a molecular weight of 454.47 g/mol. Its IUPAC name is (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• PubChem CID: 164612255
• Molecular Formula: C24H17F3N2O2S
• Molecular Weight: 454.47 g/mol
• Exact Mass: 454.10
• IUPAC Name: (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H17F3N2O2S/c25-24(26,27)18-7-4-8-19(14-18)29-22(30)21(32-23(29)28)13-16-9-11-20(12-10-16)31-15-17-5-2-1-3-6-17/h1-14,28H,15H2/b21-13-,28-23-
• InChIKey: JYMXDMLNKHJRSY-UWBRFFMCSA-N
• XLogP: 6.34
• TPSA: 53.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.47
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 164612255) is (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The InChIKey is JYMXDMLNKHJRSY-UWBRFFMCSA-N. The full InChI is InChI=1S/C24H17F3N2O2S/c25-24(26,27)18-7-4-8-19(14-18)29-22(30)21(32-23(29)28)13-16-9-11-20(12-10-16)31-15-17-5-2-1-3-6-17/h1-14,28H,15H2/b21-13-,28-23-.

What are the key properties of (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

(5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 454.47 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 164612255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).