N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide

C19H19N3O2S — CID 110342123

About N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide

N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110342123) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 110342123
• Molecular Formula: C19H19N3O2S
• Molecular Weight: 353.45 g/mol
• Exact Mass: 353.12
• IUPAC Name: N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1cc(C)cc(NC(=O)Cc2csc(COc3cccnc3)n2)c1
• InChI: InChI=1S/C19H19N3O2S/c1-13-6-14(2)8-15(7-13)21-18(23)9-16-12-25-19(22-16)11-24-17-4-3-5-20-10-17/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)
• InChIKey: LQTJRZNBJMXFJO-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.45
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110342123) is N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide is Cc1cc(C)cc(NC(=O)Cc2csc(COc3cccnc3)n2)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is LQTJRZNBJMXFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-6-14(2)8-15(7-13)21-18(23)9-16-12-25-19(22-16)11-24-17-4-3-5-20-10-17/h3-8,10,12H,9,11H2,1-2H3,(H,21,23).

What are the key properties of N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?

N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110342123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).