3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C23H18BrFN2O2S — CID 93127554

About 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127554) has the molecular formula C23H18BrFN2O2S and a molecular weight of 485.38 g/mol. Its IUPAC name is 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127554
• Molecular Formula: C23H18BrFN2O2S
• Molecular Weight: 485.38 g/mol
• Exact Mass: 484.03
• IUPAC Name: 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Br)c3)c2)c1
• InChI: InChI=1S/C23H18BrFN2O2S/c1-14-8-9-19(25)20(10-14)27-21(28)13-30-23(27)16-5-3-7-18(12-16)26-22(29)15-4-2-6-17(24)11-15/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1
• InChIKey: JSHAXFPFFJTWKO-QHCPKHFHSA-N
• XLogP: 5.93
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.38
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127554) is 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Br)c3)c2)c1.

What is the InChIKey of 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is JSHAXFPFFJTWKO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18BrFN2O2S/c1-14-8-9-19(25)20(10-14)27-21(28)13-30-23(27)16-5-3-7-18(12-16)26-22(29)15-4-2-6-17(24)11-15/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1.

What are the key properties of 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 485.38 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).