2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide

C21H22N4O3S — CID 149465209

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide (PubChem CID 149465209) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide
• PubChem CID: 149465209
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide
• SMILES: Cc1csc(N(Cc2ncccn2)C(=O)COc2cccc3c2OC(C)(C)C3)n1
• InChI: InChI=1S/C21H22N4O3S/c1-14-13-29-20(24-14)25(11-17-22-8-5-9-23-17)18(26)12-27-16-7-4-6-15-10-21(2,3)28-19(15)16/h4-9,13H,10-12H2,1-3H3
• InChIKey: ZAHCHVBURUSXJM-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 77.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide (CID 149465209) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide is Cc1csc(N(Cc2ncccn2)C(=O)COc2cccc3c2OC(C)(C)C3)n1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide?

The InChIKey is ZAHCHVBURUSXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-13-29-20(24-14)25(11-17-22-8-5-9-23-17)18(26)12-27-16-7-4-6-15-10-21(2,3)28-19(15)16/h4-9,13H,10-12H2,1-3H3.

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide is sourced from PubChem (CID 149465209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).