2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C20H18BrN3O2S — CID 27990329

About 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 27990329) has the molecular formula C20H18BrN3O2S and a molecular weight of 444.35 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 27990329
• Molecular Formula: C20H18BrN3O2S
• Molecular Weight: 444.35 g/mol
• Exact Mass: 443.03
• IUPAC Name: 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1
• InChI: InChI=1S/C20H18BrN3O2S/c1-12-19(15-5-7-16(21)8-6-15)24-20(27-12)23-18(26)11-14-3-9-17(10-4-14)22-13(2)25/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24,26)
• InChIKey: LDKGMKVPGMDZKA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.35
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 27990329) is 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1.

What is the InChIKey of 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is LDKGMKVPGMDZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2S/c1-12-19(15-5-7-16(21)8-6-15)24-20(27-12)23-18(26)11-14-3-9-17(10-4-14)22-13(2)25/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24,26).

What are the key properties of 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?

2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.35 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 27990329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).