(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide

C137H162F3N23O14S5 — CID 158228653

IUPAC(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2c(C)nc3ccccn23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCC(O)CC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)[C@@H](C)O.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1
InChIInChI=1S/2C29H35FN4O3S.C28H29N5O2S.C26H34N6O3S.C25H29FN4O3S/c1-17-10-13-34(29(36)25(19-11-14-37-15-12-19)33-27(35)18(2)31-3)26(17)28-32-24(16-38-28)22-8-9-23(30)21-7-5-4-6-20(21)22;1-17(31-2)27(36)33-26(18-9-11-19(35)12-10-18)29(37)34-15-5-8-25(34)28-32-24(16-38-28)22-13-14-23(30)21-7-4-3-6-20(21)22;1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22;1-16-23(32-11-5-4-8-21(32)28-16)19-15-36-25(29-19)20-7-6-12-31(20)26(34)22(18-9-13-35-14-10-18)30-24(33)17(2)27-3;1-14(27-3)23(32)29-22(15(2)31)25(33)30-12-6-9-21(30)24-28-20(13-34-24)18-10-11-19(26)17-8-5-4-7-16(17)18/h4-9,16-19,25-26,31H,10-15H2,1-3H3,(H,33,35);3-4,6-7,13-14,16-19,25-26,31,35H,5,8-12,15H2,1-2H3,(H,33,36);3-7,9-12,14-15,17-18,24-25,29H,8,13,16H2,1-2H3,(H,32,34);4-5,8,11,15,17-18,20,22,27H,6-7,9-10,12-14H2,1-3H3,(H,30,33);4-5,7-8,10-11,13-15,21-22,27,31H,6,9,12H2,1-3H3,(H,29,32)/t17-,18-,25-,26-;17-,18?,19?,25-,26-;18-,24-,25-;17-,20-,22-;14-,15+,21-,22-/m00000/s1
InChIKeyGECNRAMOMCMNBY-DZZPQDJHSA-N
MW2572.28 g/mol
LogP19.62
Rot. Bonds35

About (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide

(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 158228653) has the molecular formula C137H162F3N23O14S5 and a molecular weight of 2572.28 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
PubChem CID158228653
Molecular FormulaC137H162F3N23O14S5
Molecular Weight2572.28 g/mol
Exact Mass2570.12
IUPAC Name(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2c(C)nc3ccccn23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCC(O)CC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)[C@@H](C)O.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1
InChIInChI=1S/2C29H35FN4O3S.C28H29N5O2S.C26H34N6O3S.C25H29FN4O3S/c1-17-10-13-34(29(36)25(19-11-14-37-15-12-19)33-27(35)18(2)31-3)26(17)28-32-24(16-38-28)22-8-9-23(30)21-7-5-4-6-20(21)22;1-17(31-2)27(36)33-26(18-9-11-19(35)12-10-18)29(37)34-15-5-8-25(34)28-32-24(16-38-28)22-13-14-23(30)21-7-4-3-6-20(21)22;1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22;1-16-23(32-11-5-4-8-21(32)28-16)19-15-36-25(29-19)20-7-6-12-31(20)26(34)22(18-9-13-35-14-10-18)30-24(33)17(2)27-3;1-14(27-3)23(32)29-22(15(2)31)25(33)30-12-6-9-21(30)24-28-20(13-34-24)18-10-11-19(26)17-8-5-4-7-16(17)18/h4-9,16-19,25-26,31H,10-15H2,1-3H3,(H,33,35);3-4,6-7,13-14,16-19,25-26,31,35H,5,8-12,15H2,1-2H3,(H,33,36);3-7,9-12,14-15,17-18,24-25,29H,8,13,16H2,1-2H3,(H,32,34);4-5,8,11,15,17-18,20,22,27H,6-7,9-10,12-14H2,1-3H3,(H,30,33);4-5,7-8,10-11,13-15,21-22,27,31H,6,9,12H2,1-3H3,(H,29,32)/t17-,18-,25-,26-;17-,18?,19?,25-,26-;18-,24-,25-;17-,20-,22-;14-,15+,21-,22-/m00000/s1
InChIKeyGECNRAMOMCMNBY-DZZPQDJHSA-N
XLogP19.62
TPSA460.76 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002572.28
LogP ≤ 519.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide with MolForge

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Related Compounds

(2R)-N-[(1S)-2-[(2S)-2-[4-(2-bromo-1,2-dihydroquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-methylindolizin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;3-fluoro-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157220359
(2S)-N-[(1S)-2-[(2S)-2-[4-(2-bromoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(tetrazolo[1,5-a]quinolin-5-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157261758
1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3R)-oxolan-3-yl]propan-1-one;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3S)-oxolan-3-yl]propan-1-one;(4S)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 157552845
(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
1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3R)-oxolan-3-yl]propan-1-one;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3S)-oxolan-3-yl]propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;(4S)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;methane
CID 158550091
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(4-isoquinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;bis((2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxy-4-methylcyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide);(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 158644867
(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;(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]-2-(2-hydroxyethylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[7-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-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]propanamide
CID 159360275
(2R)-N-[(1S)-2-[(2S)-2-[4-(2-bromoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-bromoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(tetrazolo[1,5-a]quinolin-5-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 159588255
(2S)-N-[(1S)-1-(4-hydroxycyclohexyl)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-3-hydroxy-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S,3S)-3-methyl-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(2-methylindolizin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 160110281
(2S)-N-[(1S)-2-[(2S)-2-[4-(2-bromoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
CID 160188314
(2S)-N-[(1S)-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(1S)-1-(4-hydroxycyclohexyl)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-3-hydroxy-1-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 160283081
(2S)-N-[(1S)-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 160472523

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The IUPAC name of (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide (CID 158228653) is (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The canonical SMILES for (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2c(C)nc3ccccn23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCC(O)CC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)[C@@H](C)O.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1.
What is the InChIKey of (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The InChIKey is GECNRAMOMCMNBY-DZZPQDJHSA-N. The full InChI is InChI=1S/2C29H35FN4O3S.C28H29N5O2S.C26H34N6O3S.C25H29FN4O3S/c1-17-10-13-34(29(36)25(19-11-14-37-15-12-19)33-27(35)18(2)31-3)26(17)28-32-24(16-38-28)22-8-9-23(30)21-7-5-4-6-20(21)22;1-17(31-2)27(36)33-26(18-9-11-19(35)12-10-18)29(37)34-15-5-8-25(34)28-32-24(16-38-28)22-13-14-23(30)21-7-4-3-6-20(21)22;1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22;1-16-23(32-11-5-4-8-21(32)28-16)19-15-36-25(29-19)20-7-6-12-31(20)26(34)22(18-9-13-35-14-10-18)30-24(33)17(2)27-3;1-14(27-3)23(32)29-22(15(2)31)25(33)30-12-6-9-21(30)24-28-20(13-34-24)18-10-11-19(26)17-8-5-4-7-16(17)18/h4-9,16-19,25-26,31H,10-15H2,1-3H3,(H,33,35);3-4,6-7,13-14,16-19,25-26,31,35H,5,8-12,15H2,1-2H3,(H,33,36);3-7,9-12,14-15,17-18,24-25,29H,8,13,16H2,1-2H3,(H,32,34);4-5,8,11,15,17-18,20,22,27H,6-7,9-10,12-14H2,1-3H3,(H,30,33);4-5,7-8,10-11,13-15,21-22,27,31H,6,9,12H2,1-3H3,(H,29,32)/t17-,18-,25-,26-;17-,18?,19?,25-,26-;18-,24-,25-;17-,20-,22-;14-,15+,21-,22-/m00000/s1.
What are the key properties of (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
(2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 2572.28 g/mol, XLogP of 19.62, 35 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-[(2S,3S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 158228653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).