2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C96H96N18O14S5 — CID 167706101

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 167706101) has the molecular formula C96H96N18O14S5 and a molecular weight of 1886.27 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 167706101
• Molecular Formula: C96H96N18O14S5
• Molecular Weight: 1886.27 g/mol
• Exact Mass: 1884.60
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)nn1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncc2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncn2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cncnc2)n1.Cc1csc(NC(=O)COc2cccc3[nH]ccc23)n1
• InChI: InChI=1S/C21H22N4O3S.C21H21N3O3S.2C20H20N4O3S.C14H13N3O2S/c1-13-8-9-17(24-23-13)25(20-22-14(2)12-29-20)18(26)11-27-16-7-5-6-15-10-21(3,4)28-19(15)16;1-14-13-28-20(23-14)24(16-7-9-22-10-8-16)18(25)12-26-17-6-4-5-15-11-21(2,3)27-19(15)17;1-13-11-28-19(23-13)24(15-8-21-12-22-9-15)17(25)10-26-16-6-4-5-14-7-20(2,3)27-18(14)16;1-13-11-28-19(23-13)24(16-7-8-21-12-22-16)17(25)10-26-15-6-4-5-14-9-20(2,3)27-18(14)15;1-9-8-20-14(16-9)17-13(18)7-19-12-4-2-3-11-10(12)5-6-15-11/h5-9,12H,10-11H2,1-4H3;4-10,13H,11-12H2,1-3H3;4-6,8-9,11-12H,7,10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;2-6,8,15H,7H2,1H3,(H,16,17,18)
• InChIKey: ZCXYSADTHDPGTB-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 363.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.27
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 167706101) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)nn1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncc2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncn2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cncnc2)n1.Cc1csc(NC(=O)COc2cccc3[nH]ccc23)n1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is ZCXYSADTHDPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.C21H21N3O3S.2C20H20N4O3S.C14H13N3O2S/c1-13-8-9-17(24-23-13)25(20-22-14(2)12-29-20)18(26)11-27-16-7-5-6-15-10-21(3,4)28-19(15)16;1-14-13-28-20(23-14)24(16-7-9-22-10-8-16)18(25)12-26-17-6-4-5-15-11-21(2,3)27-19(15)17;1-13-11-28-19(23-13)24(15-8-21-12-22-9-15)17(25)10-26-16-6-4-5-14-7-20(2,3)27-18(14)16;1-13-11-28-19(23-13)24(16-7-8-21-12-22-16)17(25)10-26-15-6-4-5-14-9-20(2,3)27-18(14)15;1-9-8-20-14(16-9)17-13(18)7-19-12-4-2-3-11-10(12)5-6-15-11/h5-9,12H,10-11H2,1-4H3;4-10,13H,11-12H2,1-3H3;4-6,8-9,11-12H,7,10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;2-6,8,15H,7H2,1H3,(H,16,17,18).

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 1886.27 g/mol, XLogP of 18.66, 24 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-4-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-5-ylacetamide;2-(1H-indol-4-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167706101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).