N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C₂₂H₂₄N₂O₂S — CID 24609866

About N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 24609866) has the molecular formula C₂₂H₂₄N₂O₂S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
• PubChem CID: 24609866
• Molecular Formula: C₂₂H₂₄N₂O₂S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
• SMILES: COc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)C(C)C)cs2)cc1
• InChI: InChI=1S/C22H24N2O2S/c1-16(2)24(14-17-7-5-4-6-8-17)21(25)13-19-15-27-22(23-19)18-9-11-20(26-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3
• InChIKey: JQLLEOXLEZDNTO-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

The IUPAC name of N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 24609866) is N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

The canonical SMILES for N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is COc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)C(C)C)cs2)cc1.

What is the InChIKey of N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

The InChIKey is JQLLEOXLEZDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16(2)24(14-17-7-5-4-6-8-17)21(25)13-19-15-27-22(23-19)18-9-11-20(26-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3.

What are the key properties of N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 380.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 24609866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24609866 — identifiers, structure, computed properties (public domain)

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