About 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid
2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid (PubChem CID 158392988) has the molecular formula C147H192N28O30S12
and a molecular weight of 3216.12 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid.
Frequently Asked Questions
What is the IUPAC name of 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid?
The IUPAC name of 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid (CID 158392988) is 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid.
What is the SMILES notation for 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid?
The canonical SMILES for 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid is CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCC(C)(C)OC(=O)CCC(=O)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCCOC(=O)CCC(=O)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCNC(=O)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCNC(=O)NCCS(=O)(=O)O)CC5)cc4s3)CC2)nc1.Cc1nnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)s1.
What is the InChIKey of 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid?
The InChIKey is GXETXVQCVGPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O7S2.C32H41N5O7S2.C29H39N7O7S3.C28H36N6O5S2.C25H33N5O4S3/c1-4-5-23-21-34-31(35-22-23)37-15-12-26(13-16-37)44-32-36-27-7-6-25(20-28(27)46-32)24-10-17-38(18-11-24)47(42,43)19-14-33(2,3)45-30(41)9-8-29(39)40;1-2-5-23-21-33-31(34-22-23)36-14-12-26(13-15-36)44-32-35-27-7-6-25(20-28(27)45-32)24-10-16-37(17-11-24)46(41,42)19-4-3-18-43-30(40)9-8-29(38)39;1-2-3-21-19-32-27(33-20-21)35-12-8-24(9-13-35)43-29-34-25-5-4-23(18-26(25)44-29)22-6-14-36(15-7-22)45(38,39)16-10-30-28(37)31-11-17-46(40,41)42;1-2-3-20-17-30-27(31-18-20)33-11-8-23(9-12-33)39-28-32-24-5-4-22(16-25(24)40-28)21-6-13-34(14-7-21)41(37,38)15-10-29-26(36)19-35;1-17-27-28-23(35-17)29-11-8-20(9-12-29)34-24-26-21-5-4-19(16-22(21)36-24)18-6-13-30(14-7-18)37(32,33)15-10-25(2,3)31/h6-7,10,20-22,26H,4-5,8-9,11-19H2,1-3H3,(H,39,40);6-7,10,20-22,26H,2-5,8-9,11-19H2,1H3,(H,38,39);4-6,18-20,24H,2-3,7-17H2,1H3,(H2,30,31,37)(H,40,41,42);4-6,16-18,23,35H,2-3,7-15,19H2,1H3,(H,29,36);4-6,16,20,31H,7-15H2,1-3H3.
What are the key properties of 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid?
2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid has a molecular weight of 3216.12 g/mol, XLogP of 19.17, 61 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]acetamide;2-methyl-4-[[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;4-[2-methyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-yl]oxy-4-oxobutanoic acid;4-oxo-4-[4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butoxy]butanoic acid;2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethylcarbamoylamino]ethanesulfonic acid is sourced from PubChem (CID 158392988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).