2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C98H113N15O18S5 — CID 167604400

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 167604400) has the molecular formula C98H113N15O18S5 and a molecular weight of 1949.40 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-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-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 167604400
• Molecular Formula: C98H113N15O18S5
• Molecular Weight: 1949.40 g/mol
• Exact Mass: 1947.70
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)N4CCCC4)cs3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)N4CCCCC4)cs3)c2O1.CCC1CN(C(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.CC[C@H]1CCN(C(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.Cc1csc(NC(=O)COc2cccc3cc[nH]c23)n1
• InChI: InChI=1S/C22H27N3O4S.2C21H25N3O4S.C20H23N3O4S.C14H13N3O2S/c1-4-14-8-9-25(11-14)20(27)16-13-30-21(23-16)24-18(26)12-28-17-7-5-6-15-10-22(2,3)29-19(15)17;1-21(2)11-14-7-6-8-16(18(14)28-21)27-12-17(25)23-20-22-15(13-29-20)19(26)24-9-4-3-5-10-24;1-4-13-9-24(10-13)19(26)15-12-29-20(22-15)23-17(25)11-27-16-7-5-6-14-8-21(2,3)28-18(14)16;1-20(2)10-13-6-5-7-15(17(13)27-20)26-11-16(24)22-19-21-14(12-28-19)18(25)23-8-3-4-9-23;1-9-8-20-14(16-9)17-12(18)7-19-11-4-2-3-10-5-6-15-13(10)11/h5-7,13-14H,4,8-12H2,1-3H3,(H,23,24,26);6-8,13H,3-5,9-12H2,1-2H3,(H,22,23,25);5-7,12-13H,4,8-11H2,1-3H3,(H,22,23,25);5-7,12H,3-4,8-11H2,1-2H3,(H,21,22,24);2-6,8,15H,7H2,1H3,(H,16,17,18)/t14-;;;;/m0..../s1
• InChIKey: KEJXIBCMUJUPKO-XCYGSCDUSA-N
• XLogP: 16.66
• TPSA: 390.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1949.40
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-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-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 167604400) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-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-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-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-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)N4CCCC4)cs3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)N4CCCCC4)cs3)c2O1.CCC1CN(C(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.CC[C@H]1CCN(C(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.Cc1csc(NC(=O)COc2cccc3cc[nH]c23)n1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is KEJXIBCMUJUPKO-XCYGSCDUSA-N. The full InChI is InChI=1S/C22H27N3O4S.2C21H25N3O4S.C20H23N3O4S.C14H13N3O2S/c1-4-14-8-9-25(11-14)20(27)16-13-30-21(23-16)24-18(26)12-28-17-7-5-6-15-10-22(2,3)29-19(15)17;1-21(2)11-14-7-6-8-16(18(14)28-21)27-12-17(25)23-20-22-15(13-29-20)19(26)24-9-4-3-5-10-24;1-4-13-9-24(10-13)19(26)15-12-29-20(22-15)23-17(25)11-27-16-7-5-6-14-8-21(2,3)28-18(14)16;1-20(2)10-13-6-5-7-15(17(13)27-20)26-11-16(24)22-19-21-14(12-28-19)18(25)23-8-3-4-9-23;1-9-8-20-14(16-9)17-12(18)7-19-11-4-2-3-10-5-6-15-13(10)11/h5-7,13-14H,4,8-12H2,1-3H3,(H,23,24,26);6-8,13H,3-5,9-12H2,1-2H3,(H,22,23,25);5-7,12-13H,4,8-11H2,1-3H3,(H,22,23,25);5-7,12H,3-4,8-11H2,1-2H3,(H,21,22,24);2-6,8,15H,7H2,1H3,(H,16,17,18)/t14-;;;;/m0..../s1.

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 1949.40 g/mol, XLogP of 16.66, 26 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-ethylazetidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-[(3S)-3-ethylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide;2-(1H-indol-7-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167604400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).