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

C181H214N30O18S11 — CID 158649646

IUPAC6-[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
SMILESCCCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(CCC)cn5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)CC(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)Cc6ccccc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccc(Oc7ccccc7)cc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccccc6)CC5)cc4s3)CC2)nc1
InChIInChI=1S/C36H37N5O4S2.C31H35N5O3S2.C30H33N5O3S2.C29H37N5O2S.C28H37N5O3S2.C27H35N5O3S2/c1-2-6-26-24-37-35(38-25-26)40-19-17-31(18-20-40)45-36-39-33-14-9-28(23-34(33)46-36)27-15-21-41(22-16-27)47(42,43)32-12-10-30(11-13-32)44-29-7-4-3-5-8-29;1-2-6-24-20-32-30(33-21-24)35-15-13-27(14-16-35)39-31-34-28-10-9-26(19-29(28)40-31)25-11-17-36(18-12-25)41(37,38)22-23-7-4-3-5-8-23;1-2-6-22-20-31-29(32-21-22)34-15-13-25(14-16-34)38-30-33-27-10-9-24(19-28(27)39-30)23-11-17-35(18-12-23)40(36,37)26-7-4-3-5-8-26;1-4-5-21-18-30-28(31-19-21)34-14-10-24(11-15-34)36-29-32-25-7-6-23(17-26(25)37-29)22-8-12-33(13-9-22)27(35)16-20(2)3;1-3-5-17-38(34,35)33-15-9-22(10-16-33)23-7-8-25-26(18-23)37-28(31-25)36-24-11-13-32(14-12-24)27-29-19-21(6-4-2)20-30-27;1-4-5-20-17-28-26(29-18-20)31-12-10-23(11-13-31)35-27-30-24-7-6-22(16-25(24)36-27)21-8-14-32(15-9-21)37(33,34)19(2)3/h3-5,7-15,23-25,31H,2,6,16-22H2,1H3;3-5,7-11,19-21,27H,2,6,12-18,22H2,1H3;3-5,7-11,19-21,25H,2,6,12-18H2,1H3;6-8,17-20,24H,4-5,9-16H2,1-3H3;7-9,18-20,24H,3-6,10-17H2,1-2H3;6-8,16-19,23H,4-5,9-15H2,1-3H3
InChIKeyIBJUCMVGEHROEH-UHFFFAOYSA-N
MW3450.63 g/mol
LogP34.60
Rot. Bonds53

About 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

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 (PubChem CID 158649646) has the molecular formula C181H214N30O18S11 and a molecular weight of 3450.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID158649646
Molecular FormulaC181H214N30O18S11
Molecular Weight3450.63 g/mol
Exact Mass3447.37
IUPAC Name6-[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
SMILESCCCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(CCC)cn5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)CC(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)Cc6ccccc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccc(Oc7ccccc7)cc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccccc6)CC5)cc4s3)CC2)nc1
InChIInChI=1S/C36H37N5O4S2.C31H35N5O3S2.C30H33N5O3S2.C29H37N5O2S.C28H37N5O3S2.C27H35N5O3S2/c1-2-6-26-24-37-35(38-25-26)40-19-17-31(18-20-40)45-36-39-33-14-9-28(23-34(33)46-36)27-15-21-41(22-16-27)47(42,43)32-12-10-30(11-13-32)44-29-7-4-3-5-8-29;1-2-6-24-20-32-30(33-21-24)35-15-13-27(14-16-35)39-31-34-28-10-9-26(19-29(28)40-31)25-11-17-36(18-12-25)41(37,38)22-23-7-4-3-5-8-23;1-2-6-22-20-31-29(32-21-22)34-15-13-25(14-16-34)38-30-33-27-10-9-24(19-28(27)39-30)23-11-17-35(18-12-23)40(36,37)26-7-4-3-5-8-26;1-4-5-21-18-30-28(31-19-21)34-14-10-24(11-15-34)36-29-32-25-7-6-23(17-26(25)37-29)22-8-12-33(13-9-22)27(35)16-20(2)3;1-3-5-17-38(34,35)33-15-9-22(10-16-33)23-7-8-25-26(18-23)37-28(31-25)36-24-11-13-32(14-12-24)27-29-19-21(6-4-2)20-30-27;1-4-5-20-17-28-26(29-18-20)31-12-10-23(11-13-31)35-27-30-24-7-6-22(16-25(24)36-27)21-8-14-32(15-9-21)37(33,34)19(2)3/h3-5,7-15,23-25,31H,2,6,16-22H2,1H3;3-5,7-11,19-21,27H,2,6,12-18,22H2,1H3;3-5,7-11,19-21,25H,2,6,12-18H2,1H3;6-8,17-20,24H,4-5,9-16H2,1-3H3;7-9,18-20,24H,3-6,10-17H2,1-2H3;6-8,16-19,23H,4-5,9-15H2,1-3H3
InChIKeyIBJUCMVGEHROEH-UHFFFAOYSA-N
XLogP34.60
TPSA523.28 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds53
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003450.63
LogP ≤ 534.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
CID 161480179
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
CID 54597198
N-(benzenesulfonyl)-N,3-dimethylbutanamide;1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one;ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 157786272
N-ethyl-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]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
CID 158159893
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
2-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;2-[1-[5-(1-ethoxyethenyl)pyrimidin-2-yl]piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;(4-fluorophenyl) 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methylidene-[4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]-oxo-propyl-lambda6-sulfane;methyl-methylidene-[4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]-oxo-lambda6-sulfane;2-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole
CID 158605884
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;tris(N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine)
CID 158926402
N-(4-ethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide;1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide;1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide;N-[(3-methylphenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide;N-[(4-methylphenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 159396500
4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-1-ol;4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methylbutan-2-ol;5-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methylpentan-2-ol;3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoic acid
CID 160576884
N-(4-ethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide;1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide;1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide;N-[(3-methylphenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide;N-[(4-methylphenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 161300016
3-(aminomethyl)-5-(5-methylsulfanylpyrimidin-2-yl)pentanamide;4-(aminomethyl)pyrrolidin-2-one;tert-butyl N-[4-amino-2-[2-(5-methylsulfanylpyrimidin-2-yl)ethyl]-4-oxobutyl]carbamate;tert-butyl 4-[2-(5-methylsulfanylpyrimidin-2-yl)ethyl]-2-oxopyrrolidine-1-carboxylate;3-[[[6-[(4-methoxyphenyl)methylsulfamoyl]-1,3-benzothiazol-2-yl]amino]methyl]-5-(5-methylsulfanylpyrimidin-2-yl)pentanamide;4-[2-(5-methylsulfanylpyrimidin-2-yl)ethyl]pyrrolidin-2-one;5-(5-methylsulfanylpyrimidin-2-yl)-3-[[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]methyl]pentanamide
CID 161655811

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(CCC)cn5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)CC(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)Cc6ccccc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccc(Oc7ccccc7)cc6)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)c6ccccc6)CC5)cc4s3)CC2)nc1.
What is the InChIKey of 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?
The InChIKey is IBJUCMVGEHROEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O4S2.C31H35N5O3S2.C30H33N5O3S2.C29H37N5O2S.C28H37N5O3S2.C27H35N5O3S2/c1-2-6-26-24-37-35(38-25-26)40-19-17-31(18-20-40)45-36-39-33-14-9-28(23-34(33)46-36)27-15-21-41(22-16-27)47(42,43)32-12-10-30(11-13-32)44-29-7-4-3-5-8-29;1-2-6-24-20-32-30(33-21-24)35-15-13-27(14-16-35)39-31-34-28-10-9-26(19-29(28)40-31)25-11-17-36(18-12-25)41(37,38)22-23-7-4-3-5-8-23;1-2-6-22-20-31-29(32-21-22)34-15-13-25(14-16-34)38-30-33-27-10-9-24(19-28(27)39-30)23-11-17-35(18-12-23)40(36,37)26-7-4-3-5-8-26;1-4-5-21-18-30-28(31-19-21)34-14-10-24(11-15-34)36-29-32-25-7-6-23(17-26(25)37-29)22-8-12-33(13-9-22)27(35)16-20(2)3;1-3-5-17-38(34,35)33-15-9-22(10-16-33)23-7-8-25-26(18-23)37-28(31-25)36-24-11-13-32(14-12-24)27-29-19-21(6-4-2)20-30-27;1-4-5-20-17-28-26(29-18-20)31-12-10-23(11-13-31)35-27-30-24-7-6-22(16-25(24)36-27)21-8-14-32(15-9-21)37(33,34)19(2)3/h3-5,7-15,23-25,31H,2,6,16-22H2,1H3;3-5,7-11,19-21,27H,2,6,12-18,22H2,1H3;3-5,7-11,19-21,25H,2,6,12-18H2,1H3;6-8,17-20,24H,4-5,9-16H2,1-3H3;7-9,18-20,24H,3-6,10-17H2,1-2H3;6-8,16-19,23H,4-5,9-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3450.63 g/mol, XLogP of 34.60, 53 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158649646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).