6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole

C141H161N29O17S11 — CID 158573276

IUPAC6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
SMILESCCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)c6csnn6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C6CC6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccc(C(=O)OC)o6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccsc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6cn(C)c(C)n6)CC5)cc4s3)CC2)nc1
InChIInChI=1S/C30H33N5O6S2.C29H35N7O3S2.C28H31N5O3S3.C27H29N7O2S2.C27H33N5O3S2/c1-3-4-20-18-31-29(32-19-20)34-13-11-23(12-14-34)40-30-33-24-6-5-22(17-26(24)42-30)21-9-15-35(16-10-21)43(37,38)27-8-7-25(41-27)28(36)39-2;1-4-5-21-17-30-28(31-18-21)35-12-10-24(11-13-35)39-29-33-25-7-6-23(16-26(25)40-29)22-8-14-36(15-9-22)41(37,38)27-19-34(3)20(2)32-27;1-2-3-20-17-29-27(30-18-20)32-11-8-23(9-12-32)36-28-31-25-5-4-22(16-26(25)38-28)21-6-13-33(14-7-21)39(34,35)24-10-15-37-19-24;1-2-3-18-15-28-26(29-16-18)34-12-8-21(9-13-34)36-27-30-22-5-4-20(14-24(22)38-27)19-6-10-33(11-7-19)25(35)23-17-37-32-31-23;1-2-3-19-17-28-26(29-18-19)31-12-10-22(11-13-31)35-27-30-24-7-4-21(16-25(24)36-27)20-8-14-32(15-9-20)37(33,34)23-5-6-23/h5-9,17-19,23H,3-4,10-16H2,1-2H3;6-8,16-19,24H,4-5,9-15H2,1-3H3;4-6,10,15-19,23H,2-3,7-9,11-14H2,1H3;4-6,14-17,21H,2-3,7-13H2,1H3;4,7-8,16-18,22-23H,2-3,5-6,9-15H2,1H3
InChIKeyHSIOKRZLUAAXFM-UHFFFAOYSA-N
MW2886.76 g/mol
LogP24.71
Rot. Bonds40

About 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole

6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole (PubChem CID 158573276) has the molecular formula C141H161N29O17S11 and a molecular weight of 2886.76 g/mol. Its IUPAC name is 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
PubChem CID158573276
Molecular FormulaC141H161N29O17S11
Molecular Weight2886.76 g/mol
Exact Mass2883.96
IUPAC Name6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
SMILESCCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)c6csnn6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C6CC6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccc(C(=O)OC)o6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccsc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6cn(C)c(C)n6)CC5)cc4s3)CC2)nc1
InChIInChI=1S/C30H33N5O6S2.C29H35N7O3S2.C28H31N5O3S3.C27H29N7O2S2.C27H33N5O3S2/c1-3-4-20-18-31-29(32-19-20)34-13-11-23(12-14-34)40-30-33-24-6-5-22(17-26(24)42-30)21-9-15-35(16-10-21)43(37,38)27-8-7-25(41-27)28(36)39-2;1-4-5-21-17-30-28(31-18-21)35-12-10-24(11-13-35)39-29-33-25-7-6-23(16-26(25)40-29)22-8-14-36(15-9-22)41(37,38)27-19-34(3)20(2)32-27;1-2-3-20-17-29-27(30-18-20)32-11-8-23(9-12-32)36-28-31-25-5-4-22(16-26(25)38-28)21-6-13-33(14-7-21)39(34,35)24-10-15-37-19-24;1-2-3-18-15-28-26(29-16-18)34-12-8-21(9-13-34)36-27-30-22-5-4-20(14-24(22)38-27)19-6-10-33(11-7-19)25(35)23-17-37-32-31-23;1-2-3-19-17-28-26(29-18-19)31-12-10-22(11-13-31)35-27-30-24-7-4-21(16-25(24)36-27)20-8-14-32(15-9-20)37(33,34)23-5-6-23/h5-9,17-19,23H,3-4,10-16H2,1-2H3;6-8,16-19,24H,4-5,9-15H2,1-3H3;4-6,10,15-19,23H,2-3,7-9,11-14H2,1H3;4-6,14-17,21H,2-3,7-13H2,1H3;4,7-8,16-18,22-23H,2-3,5-6,9-15H2,1H3
InChIKeyHSIOKRZLUAAXFM-UHFFFAOYSA-N
XLogP24.71
TPSA508.57 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002886.76
LogP ≤ 524.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole with MolForge

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Launch Full Analysis

Related Compounds

6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-(1-benzylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-(1-butylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-methyl-1-[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one;6-[1-(4-phenoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole
CID 158649646

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?
The IUPAC name of 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole (CID 158573276) is 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole is CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)c6csnn6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C6CC6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccc(C(=O)OC)o6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccsc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6cn(C)c(C)n6)CC5)cc4s3)CC2)nc1.
What is the InChIKey of 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?
The InChIKey is HSIOKRZLUAAXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O6S2.C29H35N7O3S2.C28H31N5O3S3.C27H29N7O2S2.C27H33N5O3S2/c1-3-4-20-18-31-29(32-19-20)34-13-11-23(12-14-34)40-30-33-24-6-5-22(17-26(24)42-30)21-9-15-35(16-10-21)43(37,38)27-8-7-25(41-27)28(36)39-2;1-4-5-21-17-30-28(31-18-21)35-12-10-24(11-13-35)39-29-33-25-7-6-23(16-26(25)40-29)22-8-14-36(15-9-22)41(37,38)27-19-34(3)20(2)32-27;1-2-3-20-17-29-27(30-18-20)32-11-8-23(9-12-32)36-28-31-25-5-4-22(16-26(25)38-28)21-6-13-33(14-7-21)39(34,35)24-10-15-37-19-24;1-2-3-18-15-28-26(29-16-18)34-12-8-21(9-13-34)36-27-30-22-5-4-20(14-24(22)38-27)19-6-10-33(11-7-19)25(35)23-17-37-32-31-23;1-2-3-19-17-28-26(29-18-19)31-12-10-22(11-13-31)35-27-30-24-7-4-21(16-25(24)36-27)20-8-14-32(15-9-20)37(33,34)23-5-6-23/h5-9,17-19,23H,3-4,10-16H2,1-2H3;6-8,16-19,24H,4-5,9-15H2,1-3H3;4-6,10,15-19,23H,2-3,7-9,11-14H2,1H3;4-6,14-17,21H,2-3,7-13H2,1H3;4,7-8,16-18,22-23H,2-3,5-6,9-15H2,1H3.
What are the key properties of 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?
6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole has a molecular weight of 2886.76 g/mol, XLogP of 24.71, 40 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;6-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;methyl 5-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]furan-2-carboxylate;[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(thiadiazol-4-yl)methanone;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-thiophen-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 158573276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).