About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 167589453) has the molecular formula C143H161N19O18S6
and a molecular weight of 2626.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
Frequently Asked Questions
What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 167589453) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CC1(C)Cc2cccc(OCC(=O)N(Cc3ccc[nH]3)c3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OCC(=O)N(Cc3ccncc3)c3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OCC(=O)N(Cc3ncccn3)c3nc4c(s3)CCCC4)c2O1.CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.Cc1cccnc1CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.Cn1ccnc1CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IFVZPMJXAWVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S.C25H27N3O3S.C24H28N4O3S.C24H26N4O3S.C24H27N3O3S.C20H24N2O3S/c1-17-8-7-13-27-20(17)15-29(25-28-19-10-4-5-12-22(19)33-25)23(30)16-31-21-11-6-9-18-14-26(2,3)32-24(18)21;1-25(2)14-18-6-5-8-20(23(18)31-25)30-16-22(29)28(15-17-10-12-26-13-11-17)24-27-19-7-3-4-9-21(19)32-24;1-24(2)13-16-7-6-9-18(22(16)31-24)30-15-21(29)28(14-20-25-11-12-27(20)3)23-26-17-8-4-5-10-19(17)32-23;1-24(2)13-16-7-5-9-18(22(16)31-24)30-15-21(29)28(14-20-25-11-6-12-26-20)23-27-17-8-3-4-10-19(17)32-23;1-24(2)13-16-7-5-10-19(22(16)30-24)29-15-21(28)27(14-17-8-6-12-25-17)23-26-18-9-3-4-11-20(18)31-23;1-20(2)11-13-7-6-9-15(18(13)25-20)24-12-17(23)22(3)19-21-14-8-4-5-10-16(14)26-19/h6-9,11,13H,4-5,10,12,14-16H2,1-3H3;5-6,8,10-13H,3-4,7,9,14-16H2,1-2H3;6-7,9,11-12H,4-5,8,10,13-15H2,1-3H3;5-7,9,11-12H,3-4,8,10,13-15H2,1-2H3;5-8,10,12,25H,3-4,9,11,13-15H2,1-2H3;6-7,9H,4-5,8,10-12H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 2626.38 g/mol, XLogP of 26.47, 34 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methylimidazol-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(3-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyrimidin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 167589453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).