N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C21H19N3O4S2 — CID 46514539

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 46514539) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• PubChem CID: 46514539
• Molecular Formula: C21H19N3O4S2
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.08
• IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)Cc3nc(-c4cccs4)oc3C)n2)c1
• InChI: InChI=1S/C21H19N3O4S2/c1-12-15(22-20(28-12)18-5-4-8-29-18)10-19(25)24-21-23-16(11-30-21)14-9-13(26-2)6-7-17(14)27-3/h4-9,11H,10H2,1-3H3,(H,23,24,25)
• InChIKey: VYLDFFZHQYLPKL-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 46514539) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

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

The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is COc1ccc(OC)c(-c2csc(NC(=O)Cc3nc(-c4cccs4)oc3C)n2)c1.

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

The InChIKey is VYLDFFZHQYLPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-12-15(22-20(28-12)18-5-4-8-29-18)10-19(25)24-21-23-16(11-30-21)14-9-13(26-2)6-7-17(14)27-3/h4-9,11H,10H2,1-3H3,(H,23,24,25).

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 46514539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).