(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide

C146H186ClN17O10S5 — CID 159139826

IUPAC(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3cccnc3)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccncc3)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(C(C)C)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(Cc3ccccc3)cccc2s1)C1CCCCC1
InChIInChI=1S/C31H39N3O2S.C30H36ClN3O2S.2C29H36N4O2S.C27H39N3O2S/c1-3-21(2)29(35)32-28(23-14-8-5-9-15-23)31(36)34-19-11-17-25(34)30-33-27-24(16-10-18-26(27)37-30)20-22-12-6-4-7-13-22;1-3-19(2)28(35)32-26(20-11-5-4-6-12-20)30(36)34-18-10-16-24(34)29-33-27-22(14-9-17-25(27)37-29)21-13-7-8-15-23(21)31;1-3-19(2)27(34)31-25(20-10-5-4-6-11-20)29(35)33-17-9-14-23(33)28-32-26-22(13-7-15-24(26)36-28)21-12-8-16-30-18-21;1-3-19(2)27(34)31-25(21-9-5-4-6-10-21)29(35)33-18-8-12-23(33)28-32-26-22(11-7-13-24(26)36-28)20-14-16-30-17-15-20;1-5-18(4)25(31)28-23(19-11-7-6-8-12-19)27(32)30-16-10-14-21(30)26-29-24-20(17(2)3)13-9-15-22(24)33-26/h4,6-7,10,12-13,16,18,21,23,25,28H,3,5,8-9,11,14-15,17,19-20H2,1-2H3,(H,32,35);7-9,13-15,17,19-20,24,26H,3-6,10-12,16,18H2,1-2H3,(H,32,35);7-8,12-13,15-16,18-20,23,25H,3-6,9-11,14,17H2,1-2H3,(H,31,34);7,11,13-17,19,21,23,25H,3-6,8-10,12,18H2,1-2H3,(H,31,34);9,13,15,17-19,21,23H,5-8,10-12,14,16H2,1-4H3,(H,28,31)/t21-,25+,28+;19-,24+,26+;2*19-,23+,25+;18-,21+,23+/m11111/s1
InChIKeyKHYOQGSIMFKUBE-JYYBLAGISA-N
MW2534.99 g/mol
LogP32.51
Rot. Bonds36

About (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide

(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide (PubChem CID 159139826) has the molecular formula C146H186ClN17O10S5 and a molecular weight of 2534.99 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide
PubChem CID159139826
Molecular FormulaC146H186ClN17O10S5
Molecular Weight2534.99 g/mol
Exact Mass2532.29
IUPAC Name(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3cccnc3)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccncc3)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(C(C)C)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(Cc3ccccc3)cccc2s1)C1CCCCC1
InChIInChI=1S/C31H39N3O2S.C30H36ClN3O2S.2C29H36N4O2S.C27H39N3O2S/c1-3-21(2)29(35)32-28(23-14-8-5-9-15-23)31(36)34-19-11-17-25(34)30-33-27-24(16-10-18-26(27)37-30)20-22-12-6-4-7-13-22;1-3-19(2)28(35)32-26(20-11-5-4-6-12-20)30(36)34-18-10-16-24(34)29-33-27-22(14-9-17-25(27)37-29)21-13-7-8-15-23(21)31;1-3-19(2)27(34)31-25(20-10-5-4-6-11-20)29(35)33-17-9-14-23(33)28-32-26-22(13-7-15-24(26)36-28)21-12-8-16-30-18-21;1-3-19(2)27(34)31-25(21-9-5-4-6-10-21)29(35)33-18-8-12-23(33)28-32-26-22(11-7-13-24(26)36-28)20-14-16-30-17-15-20;1-5-18(4)25(31)28-23(19-11-7-6-8-12-19)27(32)30-16-10-14-21(30)26-29-24-20(17(2)3)13-9-15-22(24)33-26/h4,6-7,10,12-13,16,18,21,23,25,28H,3,5,8-9,11,14-15,17,19-20H2,1-2H3,(H,32,35);7-9,13-15,17,19-20,24,26H,3-6,10-12,16,18H2,1-2H3,(H,32,35);7-8,12-13,15-16,18-20,23,25H,3-6,9-11,14,17H2,1-2H3,(H,31,34);7,11,13-17,19,21,23,25H,3-6,8-10,12,18H2,1-2H3,(H,31,34);9,13,15,17-19,21,23H,5-8,10-12,14,16H2,1-4H3,(H,28,31)/t21-,25+,28+;19-,24+,26+;2*19-,23+,25+;18-,21+,23+/m11111/s1
InChIKeyKHYOQGSIMFKUBE-JYYBLAGISA-N
XLogP32.51
TPSA337.28 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002534.99
LogP ≤ 532.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide with MolForge

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Related Compounds

(2R)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-1-(1-methylsulfonylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 157061769
(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-(1-oxo-1-silylidenethian-4-yl)-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-thiophen-3-ylethyl]butanamide
CID 157275950
(2S)-N-[(2R)-6-(diethylaminomethyl)-5-oxo-1-phenylhept-6-en-2-yl]-N'-methyl-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]butanediamide;(2S)-N-[(2R)-6-(diethylaminomethyl)-5-oxo-1-phenylhept-6-en-2-yl]-4-oxo-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]heptanamide;(2S)-N-[(2R)-6-(diethylaminomethyl)-5-oxo-1-phenylhept-6-en-2-yl]-4-oxo-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]hexanamide;(2S)-N-[(2R)-6-(diethylaminomethyl)-5-oxo-1-phenylhept-6-en-2-yl]-4-oxo-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]pentanamide;(2S)-N'-methyl-N-[(2R)-6-[(4-methylpiperazin-1-yl)methyl]-5-oxo-1-phenylhept-6-en-2-yl]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]butanediamide;(2S)-N-[(2R)-6-[(4-methylpiperazin-1-yl)methyl]-5-oxo-1-phenylhept-6-en-2-yl]-4-oxo-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]heptanamide
CID 157757135
(2S)-N-[(1S)-2-[(2S)-2-[4-(4-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-fluorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-fluorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 157983348
(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;methane
CID 158409976
(2R)-N-[(1S)-2-[(2S)-2-[4-(3-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-fluorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-fluorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 158606279
(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide
CID 158652726
bis(N-[(2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-4-oxohexyl]benzamide);N-[(2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-4-oxohexyl]cyclohexanecarboxamide;N-[(2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-4-oxohexyl]-2-cyclopentylacetamide;N-[(2S)-2-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-4-oxohexyl]pyridine-2-carboxamide
CID 158815388
2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;(2S,3S)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;(2S,3R)-2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide;2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 158854898
(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(4-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
CID 158963429
(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(4-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]butanamide
CID 159060296
4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one;4-[(2S,3R)-2-(6-chloro-1H-indol-3-yl)-1-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazin-2-one
CID 159194399

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide (CID 159139826) is (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3cccnc3)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccncc3)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(C(C)C)cccc2s1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(Cc3ccccc3)cccc2s1)C1CCCCC1.
What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
The InChIKey is KHYOQGSIMFKUBE-JYYBLAGISA-N. The full InChI is InChI=1S/C31H39N3O2S.C30H36ClN3O2S.2C29H36N4O2S.C27H39N3O2S/c1-3-21(2)29(35)32-28(23-14-8-5-9-15-23)31(36)34-19-11-17-25(34)30-33-27-24(16-10-18-26(27)37-30)20-22-12-6-4-7-13-22;1-3-19(2)28(35)32-26(20-11-5-4-6-12-20)30(36)34-18-10-16-24(34)29-33-27-22(14-9-17-25(27)37-29)21-13-7-8-15-23(21)31;1-3-19(2)27(34)31-25(20-10-5-4-6-11-20)29(35)33-17-9-14-23(33)28-32-26-22(13-7-15-24(26)36-28)21-12-8-16-30-18-21;1-3-19(2)27(34)31-25(21-9-5-4-6-10-21)29(35)33-18-8-12-23(33)28-32-26-22(11-7-13-24(26)36-28)20-14-16-30-17-15-20;1-5-18(4)25(31)28-23(19-11-7-6-8-12-19)27(32)30-16-10-14-21(30)26-29-24-20(17(2)3)13-9-15-22(24)33-26/h4,6-7,10,12-13,16,18,21,23,25,28H,3,5,8-9,11,14-15,17,19-20H2,1-2H3,(H,32,35);7-9,13-15,17,19-20,24,26H,3-6,10-12,16,18H2,1-2H3,(H,32,35);7-8,12-13,15-16,18-20,23,25H,3-6,9-11,14,17H2,1-2H3,(H,31,34);7,11,13-17,19,21,23,25H,3-6,8-10,12,18H2,1-2H3,(H,31,34);9,13,15,17-19,21,23H,5-8,10-12,14,16H2,1-4H3,(H,28,31)/t21-,25+,28+;19-,24+,26+;2*19-,23+,25+;18-,21+,23+/m11111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide has a molecular weight of 2534.99 g/mol, XLogP of 32.51, 36 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-3-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide is sourced from PubChem (CID 159139826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).