N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

C26H23BrN2O2S — CID 19196910

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (PubChem CID 19196910) has the molecular formula C26H23BrN2O2S and a molecular weight of 507.45 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
• PubChem CID: 19196910
• Molecular Formula: C26H23BrN2O2S
• Molecular Weight: 507.45 g/mol
• Exact Mass: 506.07
• IUPAC Name: N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
• SMILES: CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1
• InChI: InChI=1S/C26H23BrN2O2S/c1-26(2,19-8-4-3-5-9-19)20-11-13-22(14-12-20)31-16-24(30)29-25-28-23(17-32-25)18-7-6-10-21(27)15-18/h3-15,17H,16H2,1-2H3,(H,28,29,30)
• InChIKey: GDSKAIPYRHBULM-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.45
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?

The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (CID 19196910) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?

The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1.

What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?

The InChIKey is GDSKAIPYRHBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O2S/c1-26(2,19-8-4-3-5-9-19)20-11-13-22(14-12-20)31-16-24(30)29-25-28-23(17-32-25)18-7-6-10-21(27)15-18/h3-15,17H,16H2,1-2H3,(H,28,29,30).

What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide has a molecular weight of 507.45 g/mol, XLogP of 6.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19196910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).