[1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol
C139H184N20O24S10 — CID 158852419
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol
SMILESCC(=O)OC1(CCS(=O)(=O)N2CC=C(c3ccc4nc(OC5CCN(C(=O)C6CC6)CC5)sc4c3)CC2)CC1.CCCc1cnc(N2CCC(COc3nc4ccc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.O=C(C1CC1)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC5(O)CC5)CC4)cc3s2)CC1.O=C(C1CC1)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCN5CC(O)C5)CC4)cc3s2)CC1
InChIInChI=1S/C30H41N5O4S2.C29H41N5O4S2.C28H35N3O6S2.C26H34N4O5S2.C26H33N3O5S2/c1-4-5-23-19-31-28(32-20-23)34-13-8-22(9-14-34)21-39-29-33-26-7-6-25(18-27(26)40-29)24-10-15-35(16-11-24)41(37,38)17-12-30(2,3)36;1-4-5-21-19-30-27(31-20-21)33-13-10-24(11-14-33)38-28-32-25-7-6-23(18-26(25)39-28)22-8-15-34(16-9-22)40(36,37)17-12-29(2,3)35;1-19(32)37-28(10-11-28)12-17-39(34,35)31-15-6-20(7-16-31)22-4-5-24-25(18-22)38-27(29-24)36-23-8-13-30(14-9-23)26(33)21-2-3-21;31-21-16-28(17-21)13-14-37(33,34)30-11-5-18(6-12-30)20-3-4-23-24(15-20)36-26(27-23)35-22-7-9-29(10-8-22)25(32)19-1-2-19;30-24(19-1-2-19)28-12-7-21(8-13-28)34-25-27-22-4-3-20(17-23(22)35-25)18-5-14-29(15-6-18)36(32,33)16-11-26(31)9-10-26/h6-7,10,18-20,22,36H,4-5,8-9,11-17,21H2,1-3H3;6-7,18-20,22,24,35H,4-5,8-17H2,1-3H3;4-6,18,21,23H,2-3,7-17H2,1H3;3-5,15,19,21-22,31H,1-2,6-14,16-17H2;3-5,17,19,21,31H,1-2,6-16H2
InChIKeyIZPYWKDKMBLIMC-UHFFFAOYSA-N
MW2839.79 g/mol
LogP19.23
Rot. Bonds46
About [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol
[1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol (PubChem CID 158852419) has the molecular formula C139H184N20O24S10 and a molecular weight of 2839.79 g/mol. Its IUPAC name is [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol.
Molecular Properties
| Compound Name | [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol |
|---|---|
| PubChem CID | 158852419 |
| Molecular Formula | C139H184N20O24S10 |
| Molecular Weight | 2839.79 g/mol |
| Exact Mass | 2837.10 |
| IUPAC Name | [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol |
| SMILES | CC(=O)OC1(CCS(=O)(=O)N2CC=C(c3ccc4nc(OC5CCN(C(=O)C6CC6)CC5)sc4c3)CC2)CC1.CCCc1cnc(N2CCC(COc3nc4ccc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.O=C(C1CC1)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC5(O)CC5)CC4)cc3s2)CC1.O=C(C1CC1)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCN5CC(O)C5)CC4)cc3s2)CC1 |
| InChI | InChI=1S/C30H41N5O4S2.C29H41N5O4S2.C28H35N3O6S2.C26H34N4O5S2.C26H33N3O5S2/c1-4-5-23-19-31-28(32-20-23)34-13-8-22(9-14-34)21-39-29-33-26-7-6-25(18-27(26)40-29)24-10-15-35(16-11-24)41(37,38)17-12-30(2,3)36;1-4-5-21-19-30-27(31-20-21)33-13-10-24(11-14-33)38-28-32-25-7-6-23(18-26(25)39-28)22-8-15-34(16-9-22)40(36,37)17-12-29(2,3)35;1-19(32)37-28(10-11-28)12-17-39(34,35)31-15-6-20(7-16-31)22-4-5-24-25(18-22)38-27(29-24)36-23-8-13-30(14-9-23)26(33)21-2-3-21;31-21-16-28(17-21)13-14-37(33,34)30-11-5-18(6-12-30)20-3-4-23-24(15-20)36-26(27-23)35-22-7-9-29(10-8-22)25(32)19-1-2-19;30-24(19-1-2-19)28-12-7-21(8-13-28)34-25-27-22-4-3-20(17-23(22)35-25)18-5-14-29(15-6-18)36(32,33)16-11-26(31)9-10-26/h6-7,10,18-20,22,36H,4-5,8-9,11-17,21H2,1-3H3;6-7,18-20,22,24,35H,4-5,8-17H2,1-3H3;4-6,18,21,23H,2-3,7-17H2,1H3;3-5,15,19,21-22,31H,1-2,6-14,16-17H2;3-5,17,19,21,31H,1-2,6-16H2 |
| InChIKey | IZPYWKDKMBLIMC-UHFFFAOYSA-N |
| XLogP | 19.23 |
| TPSA | 526.93 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 193 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2839.79 |
| LogP ≤ 5 | 19.23 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 41 |
Frequently Asked Questions
What is the IUPAC name of [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol?
The IUPAC name of [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol (CID 158852419) is [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol.
What is the SMILES notation for [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol?
The canonical SMILES for [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol is CC(=O)OC1(CCS(=O)(=O)N2CC=C(c3ccc4nc(OC5CCN(C(=O)C6CC6)CC5)sc4c3)CC2)CC1.CCCc1cnc(N2CCC(COc3nc4ccc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.O=C(C1CC1)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC5(O)CC5)CC4)cc3s2)CC1.O=C(C1CC1)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCN5CC(O)C5)CC4)cc3s2)CC1.
What is the InChIKey of [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol?
The InChIKey is IZPYWKDKMBLIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O4S2.C29H41N5O4S2.C28H35N3O6S2.C26H34N4O5S2.C26H33N3O5S2/c1-4-5-23-19-31-28(32-20-23)34-13-8-22(9-14-34)21-39-29-33-26-7-6-25(18-27(26)40-29)24-10-15-35(16-11-24)41(37,38)17-12-30(2,3)36;1-4-5-21-19-30-27(31-20-21)33-13-10-24(11-14-33)38-28-32-25-7-6-23(18-26(25)39-28)22-8-15-34(16-9-22)40(36,37)17-12-29(2,3)35;1-19(32)37-28(10-11-28)12-17-39(34,35)31-15-6-20(7-16-31)22-4-5-24-25(18-22)38-27(29-24)36-23-8-13-30(14-9-23)26(33)21-2-3-21;31-21-16-28(17-21)13-14-37(33,34)30-11-5-18(6-12-30)20-3-4-23-24(15-20)36-26(27-23)35-22-7-9-29(10-8-22)25(32)19-1-2-19;30-24(19-1-2-19)28-12-7-21(8-13-28)34-25-27-22-4-3-20(17-23(22)35-25)18-5-14-29(15-6-18)36(32,33)16-11-26(31)9-10-26/h6-7,10,18-20,22,36H,4-5,8-9,11-17,21H2,1-3H3;6-7,18-20,22,24,35H,4-5,8-17H2,1-3H3;4-6,18,21,23H,2-3,7-17H2,1H3;3-5,15,19,21-22,31H,1-2,6-14,16-17H2;3-5,17,19,21,31H,1-2,6-16H2.
What are the key properties of [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol?
[1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol has a molecular weight of 2839.79 g/mol, XLogP of 19.23, 46 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]cyclopropyl] acetate;cyclopropyl-[4-[[6-[1-[2-(3-hydroxyazetidin-1-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-[1-[2-(1-hydroxycyclopropyl)ethylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-methyl-4-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-4-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylbutan-2-ol is sourced from PubChem (CID 158852419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158852419 — identifiers, structure, computed properties (public domain)
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