2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide

C24H23FN2O3S — CID 17471818

IUPAC2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide
SMILESCc1ccccc1C(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)NC(C)C
InChIInChI=1S/C24H23FN2O3S/c1-15(2)26-22(29)14-27-23(13-20(28)19-7-5-4-6-16(19)3)31-21(24(27)30)12-17-8-10-18(25)11-9-17/h4-13,15H,14H2,1-3H3,(H,26,29)/b21-12+,23-13-
InChIKeyHBLKPQAPUVAAIG-IGTWGIOLSA-N
MW438.52 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide

2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 17471818) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide
PubChem CID17471818
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide
SMILESCc1ccccc1C(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)NC(C)C
InChIInChI=1S/C24H23FN2O3S/c1-15(2)26-22(29)14-27-23(13-20(28)19-7-5-4-6-16(19)3)31-21(24(27)30)12-17-8-10-18(25)11-9-17/h4-13,15H,14H2,1-3H3,(H,26,29)/b21-12+,23-13-
InChIKeyHBLKPQAPUVAAIG-IGTWGIOLSA-N
XLogP2.37
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide (CID 17471818) is 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide is Cc1ccccc1C(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)NC(C)C.
What is the InChIKey of 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is HBLKPQAPUVAAIG-IGTWGIOLSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-15(2)26-22(29)14-27-23(13-20(28)19-7-5-4-6-16(19)3)31-21(24(27)30)12-17-8-10-18(25)11-9-17/h4-13,15H,14H2,1-3H3,(H,26,29)/b21-12+,23-13-.
What are the key properties of 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide?
2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 438.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 17471818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).