(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide

C121H146N20O13S4 — CID 159486536

IUPAC(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C1CCN(C(=O)[C@H]2CCCO2)CC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCN(C(C)=O)CC1.C[C@@H](NCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)c1ccccc1.C[C@H](NCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccnc2s1)C1CCCCC1
InChIInChI=1S/C33H41N5O4S.C30H32N4O3S.C29H36N6O3S.C29H37N5O3S/c1-21(34-2)30(39)35-28(23-15-18-37(19-16-23)32(40)26-13-8-20-42-26)33(41)38-17-7-12-25(38)31-36-29-24(11-6-14-27(29)43-31)22-9-4-3-5-10-22;1-20(31-17-19-35)28(36)32-26(22-12-6-3-7-13-22)30(37)34-18-9-15-24(34)29-33-27-23(14-8-16-25(27)38-29)21-10-4-2-5-11-21;1-18(30-3)27(37)32-25(21-12-16-34(17-13-21)19(2)36)29(38)35-15-7-10-22(35)28-33-26-23(39-28)11-14-31-24(26)20-8-5-4-6-9-20;1-19(30-16-18-35)26(36)32-24(21-11-6-3-7-12-21)29(37)34-17-8-13-23(34)27-33-25-22(14-15-31-28(25)38-27)20-9-4-2-5-10-20/h3-6,9-11,14,21,23,25-26,28,34H,7-8,12-13,15-20H2,1-2H3,(H,35,39);2-8,10-14,16,20,24,26,31,35H,9,15,17-19H2,1H3,(H,32,36);4-6,8-9,11,14,18,21-22,25,30H,7,10,12-13,15-17H2,1-3H3,(H,32,37);2,4-5,9-10,14-15,19,21,23-24,30,35H,3,6-8,11-13,16-18H2,1H3,(H,32,36)/t21-,25-,26+,28-;20-,24+,26+;18-,22-,25-;19-,23-,24-/m0100/s1
InChIKeyLXQQTLJIJHUESL-GNMKLHIYSA-N
MW2216.89 g/mol
LogP16.02
Rot. Bonds33

About (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide

(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 159486536) has the molecular formula C121H146N20O13S4 and a molecular weight of 2216.89 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
PubChem CID159486536
Molecular FormulaC121H146N20O13S4
Molecular Weight2216.89 g/mol
Exact Mass2215.03
IUPAC Name(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C1CCN(C(=O)[C@H]2CCCO2)CC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCN(C(C)=O)CC1.C[C@@H](NCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)c1ccccc1.C[C@H](NCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccnc2s1)C1CCCCC1
InChIInChI=1S/C33H41N5O4S.C30H32N4O3S.C29H36N6O3S.C29H37N5O3S/c1-21(34-2)30(39)35-28(23-15-18-37(19-16-23)32(40)26-13-8-20-42-26)33(41)38-17-7-12-25(38)31-36-29-24(11-6-14-27(29)43-31)22-9-4-3-5-10-22;1-20(31-17-19-35)28(36)32-26(22-12-6-3-7-13-22)30(37)34-18-9-15-24(34)29-33-27-23(14-8-16-25(27)38-29)21-10-4-2-5-11-21;1-18(30-3)27(37)32-25(21-12-16-34(17-13-21)19(2)36)29(38)35-15-7-10-22(35)28-33-26-23(39-28)11-14-31-24(26)20-8-5-4-6-9-20;1-19(30-16-18-35)26(36)32-24(21-11-6-3-7-12-21)29(37)34-17-8-13-23(34)27-33-25-22(14-15-31-28(25)38-27)20-9-4-2-5-10-20/h3-6,9-11,14,21,23,25-26,28,34H,7-8,12-13,15-20H2,1-2H3,(H,35,39);2-8,10-14,16,20,24,26,31,35H,9,15,17-19H2,1H3,(H,32,36);4-6,8-9,11,14,18,21-22,25,30H,7,10,12-13,15-17H2,1-3H3,(H,32,37);2,4-5,9-10,14-15,19,21,23-24,30,35H,3,6-8,11-13,16-18H2,1H3,(H,32,36)/t21-,25-,26+,28-;20-,24+,26+;18-,22-,25-;19-,23-,24-/m0100/s1
InChIKeyLXQQTLJIJHUESL-GNMKLHIYSA-N
XLogP16.02
TPSA413.41 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.89
LogP ≤ 516.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide with MolForge

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Related Compounds

4-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
CID 157799795
4-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
CID 160130444
(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
6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 157477796
(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]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-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-[(2S)-2-[7-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 157583764
N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 157873894
N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
CID 158312852
N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide
CID 158403531
N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 158438193
(2R)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-5-hydroxy-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]pentanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 158484891
(2R)-N-[(1S)-1-[1-(2-hydroxyacetyl)piperidin-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-(2-hydroxyethyl)piperidin-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-(2-methoxyacetyl)piperidin-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)-2-oxo-1-phenyl-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 158680589

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide (CID 159486536) is (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C1CCN(C(=O)[C@H]2CCCO2)CC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCN(C(C)=O)CC1.C[C@@H](NCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)c1ccccc1.C[C@H](NCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccnc2s1)C1CCCCC1.
What is the InChIKey of (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The InChIKey is LXQQTLJIJHUESL-GNMKLHIYSA-N. The full InChI is InChI=1S/C33H41N5O4S.C30H32N4O3S.C29H36N6O3S.C29H37N5O3S/c1-21(34-2)30(39)35-28(23-15-18-37(19-16-23)32(40)26-13-8-20-42-26)33(41)38-17-7-12-25(38)31-36-29-24(11-6-14-27(29)43-31)22-9-4-3-5-10-22;1-20(31-17-19-35)28(36)32-26(22-12-6-3-7-13-22)30(37)34-18-9-15-24(34)29-33-27-23(14-8-16-25(27)38-29)21-10-4-2-5-11-21;1-18(30-3)27(37)32-25(21-12-16-34(17-13-21)19(2)36)29(38)35-15-7-10-22(35)28-33-26-23(39-28)11-14-31-24(26)20-8-5-4-6-9-20;1-19(30-16-18-35)26(36)32-24(21-11-6-3-7-12-21)29(37)34-17-8-13-23(34)27-33-25-22(14-15-31-28(25)38-27)20-9-4-2-5-10-20/h3-6,9-11,14,21,23,25-26,28,34H,7-8,12-13,15-20H2,1-2H3,(H,35,39);2-8,10-14,16,20,24,26,31,35H,9,15,17-19H2,1H3,(H,32,36);4-6,8-9,11,14,18,21-22,25,30H,7,10,12-13,15-17H2,1-3H3,(H,32,37);2,4-5,9-10,14-15,19,21,23-24,30,35H,3,6-8,11-13,16-18H2,1H3,(H,32,36)/t21-,25-,26+,28-;20-,24+,26+;18-,22-,25-;19-,23-,24-/m0100/s1.
What are the key properties of (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 2216.89 g/mol, XLogP of 16.02, 33 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2R)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 159486536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).