N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide

C21H20BrClN2O2S — CID 43836798

About N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide

N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide (PubChem CID 43836798) has the molecular formula C21H20BrClN2O2S and a molecular weight of 479.83 g/mol. Its IUPAC name is N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
• PubChem CID: 43836798
• Molecular Formula: C21H20BrClN2O2S
• Molecular Weight: 479.83 g/mol
• Exact Mass: 478.01
• IUPAC Name: N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
• SMILES: Cc1nc(NC(=O)c2ccccc2OC(C)C)sc1Cc1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C21H20BrClN2O2S/c1-12(2)27-18-7-5-4-6-15(18)20(26)25-21-24-13(3)19(28-21)11-14-8-9-16(22)17(23)10-14/h4-10,12H,11H2,1-3H3,(H,24,25,26)
• InChIKey: CAUKAODJNDGPMH-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.83
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?

The IUPAC name of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide (CID 43836798) is N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide.

What is the SMILES notation for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?

The canonical SMILES for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide is Cc1nc(NC(=O)c2ccccc2OC(C)C)sc1Cc1ccc(Br)c(Cl)c1.

What is the InChIKey of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?

The InChIKey is CAUKAODJNDGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN2O2S/c1-12(2)27-18-7-5-4-6-15(18)20(26)25-21-24-13(3)19(28-21)11-14-8-9-16(22)17(23)10-14/h4-10,12H,11H2,1-3H3,(H,24,25,26).

What are the key properties of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?

N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide has a molecular weight of 479.83 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 43836798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).