(2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one

C28H24FNO2S — CID 6215882

About (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 6215882) has the molecular formula C28H24FNO2S and a molecular weight of 457.57 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 6215882
• Molecular Formula: C28H24FNO2S
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.15
• IUPAC Name: (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1ccc(/C=c2\s/c(=C\C(=O)c3cc(C)cc(C)c3)n(Cc3cccc(F)c3)c2=O)cc1
• InChI: InChI=1S/C28H24FNO2S/c1-18-7-9-21(10-8-18)15-26-28(32)30(17-22-5-4-6-24(29)14-22)27(33-26)16-25(31)23-12-19(2)11-20(3)13-23/h4-16H,17H2,1-3H3/b26-15-,27-16-
• InChIKey: MDIUOEJSFQFXCK-FHOIBDKLSA-N
• XLogP: 4.51
• TPSA: 39.07 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 6215882) is (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/C=c2\s/c(=C\C(=O)c3cc(C)cc(C)c3)n(Cc3cccc(F)c3)c2=O)cc1.

What is the InChIKey of (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is MDIUOEJSFQFXCK-FHOIBDKLSA-N. The full InChI is InChI=1S/C28H24FNO2S/c1-18-7-9-21(10-8-18)15-26-28(32)30(17-22-5-4-6-24(29)14-22)27(33-26)16-25(31)23-12-19(2)11-20(3)13-23/h4-16H,17H2,1-3H3/b26-15-,27-16-.

What are the key properties of (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?

(2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 457.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6215882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).