5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
C129H174F7N25O15S5 — CID 158425681
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(NC2CC3(CCC3)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC[C@@H]1C
InChIInChI=1S/C27H36FN5O3S.C26H34F3N5O3S.C26H37N5O3S.C25H32F3N5O3S.C25H35N5O3S/c1-16-11-20(31-18-12-27(13-18)7-4-8-27)29-14-19(16)22-21(25(35)33-9-5-17(28)6-10-33)32-24(37-22)23(34)30-15-26(2,3)36;1-15-11-19(32-17-5-4-8-26(28,29)12-17)30-13-18(15)21-20(24(36)34-9-6-16(27)7-10-34)33-23(38-21)22(35)31-14-25(2,3)37;1-16-13-20(29-18-10-6-5-7-11-18)27-14-19(16)22-21(25(33)31-12-8-9-17(31)2)30-24(35-22)23(32)28-15-26(3,4)34;1-14-10-18(31-16-4-7-25(27,28)11-16)29-12-17(14)20-19(23(35)33-8-5-15(26)6-9-33)32-22(37-20)21(34)30-13-24(2,3)36;1-15-12-19(28-17-8-6-5-7-9-17)26-13-18(15)21-20(24(32)30-11-10-16(30)2)29-23(34-21)22(31)27-14-25(3,4)33/h11,14,17-18,36H,4-10,12-13,15H2,1-3H3,(H,29,31)(H,30,34);11,13,16-17,37H,4-10,12,14H2,1-3H3,(H,30,32)(H,31,35);13-14,17-18,34H,5-12,15H2,1-4H3,(H,27,29)(H,28,32);10,12,15-16,36H,4-9,11,13H2,1-3H3,(H,29,31)(H,30,34);12-13,16-17,33H,5-11,14H2,1-4H3,(H,26,28)(H,27,31)/t;;17-;;16-/m..0.0/s1
InChIKeyHBACSYPCZWSDBB-KQFWKGEDSA-N
MW2608.29 g/mol
LogP21.48
Rot. Bonds35
About 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 158425681) has the molecular formula C129H174F7N25O15S5 and a molecular weight of 2608.29 g/mol. Its IUPAC name is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
Molecular Properties
| Compound Name | 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide |
|---|---|
| PubChem CID | 158425681 |
| Molecular Formula | C129H174F7N25O15S5 |
| Molecular Weight | 2608.29 g/mol |
| Exact Mass | 2606.21 |
| IUPAC Name | 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide |
| SMILES | Cc1cc(NC2CC3(CCC3)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC[C@@H]1C |
| InChI | InChI=1S/C27H36FN5O3S.C26H34F3N5O3S.C26H37N5O3S.C25H32F3N5O3S.C25H35N5O3S/c1-16-11-20(31-18-12-27(13-18)7-4-8-27)29-14-19(16)22-21(25(35)33-9-5-17(28)6-10-33)32-24(37-22)23(34)30-15-26(2,3)36;1-15-11-19(32-17-5-4-8-26(28,29)12-17)30-13-18(15)21-20(24(36)34-9-6-16(27)7-10-34)33-23(38-21)22(35)31-14-25(2,3)37;1-16-13-20(29-18-10-6-5-7-11-18)27-14-19(16)22-21(25(33)31-12-8-9-17(31)2)30-24(35-22)23(32)28-15-26(3,4)34;1-14-10-18(31-16-4-7-25(27,28)11-16)29-12-17(14)20-19(23(35)33-8-5-15(26)6-9-33)32-22(37-20)21(34)30-13-24(2,3)36;1-15-12-19(28-17-8-6-5-7-9-17)26-13-18(15)21-20(24(32)30-11-10-16(30)2)29-23(34-21)22(31)27-14-25(3,4)33/h11,14,17-18,36H,4-10,12-13,15H2,1-3H3,(H,29,31)(H,30,34);11,13,16-17,37H,4-10,12,14H2,1-3H3,(H,30,32)(H,31,35);13-14,17-18,34H,5-12,15H2,1-4H3,(H,27,29)(H,28,32);10,12,15-16,36H,4-9,11,13H2,1-3H3,(H,29,31)(H,30,34);12-13,16-17,33H,5-11,14H2,1-4H3,(H,26,28)(H,27,31)/t;;17-;;16-/m..0.0/s1 |
| InChIKey | HBACSYPCZWSDBB-KQFWKGEDSA-N |
| XLogP | 21.48 |
| TPSA | 537.25 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 181 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2608.29 |
| LogP ≤ 5 | 21.48 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 158425681) is 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is Cc1cc(NC2CC3(CCC3)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCC(F)(F)C2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC[C@@H]1C.
What is the InChIKey of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HBACSYPCZWSDBB-KQFWKGEDSA-N. The full InChI is InChI=1S/C27H36FN5O3S.C26H34F3N5O3S.C26H37N5O3S.C25H32F3N5O3S.C25H35N5O3S/c1-16-11-20(31-18-12-27(13-18)7-4-8-27)29-14-19(16)22-21(25(35)33-9-5-17(28)6-10-33)32-24(37-22)23(34)30-15-26(2,3)36;1-15-11-19(32-17-5-4-8-26(28,29)12-17)30-13-18(15)21-20(24(36)34-9-6-16(27)7-10-34)33-23(38-21)22(35)31-14-25(2,3)37;1-16-13-20(29-18-10-6-5-7-11-18)27-14-19(16)22-21(25(33)31-12-8-9-17(31)2)30-24(35-22)23(32)28-15-26(3,4)34;1-14-10-18(31-16-4-7-25(27,28)11-16)29-12-17(14)20-19(23(35)33-8-5-15(26)6-9-33)32-22(37-20)21(34)30-13-24(2,3)36;1-15-12-19(28-17-8-6-5-7-9-17)26-13-18(15)21-20(24(32)30-11-10-16(30)2)29-23(34-21)22(31)27-14-25(3,4)33/h11,14,17-18,36H,4-10,12-13,15H2,1-3H3,(H,29,31)(H,30,34);11,13,16-17,37H,4-10,12,14H2,1-3H3,(H,30,32)(H,31,35);13-14,17-18,34H,5-12,15H2,1-4H3,(H,27,29)(H,28,32);10,12,15-16,36H,4-9,11,13H2,1-3H3,(H,29,31)(H,30,34);12-13,16-17,33H,5-11,14H2,1-4H3,(H,26,28)(H,27,31)/t;;17-;;16-/m..0.0/s1.
What are the key properties of 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2608.29 g/mol, XLogP of 21.48, 35 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylazetidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclopentyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(spiro[3.3]heptan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158425681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158425681 — identifiers, structure, computed properties (public domain)
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