5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C98H139N23O12S4 — CID 158904312

About 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 158904312) has the molecular formula C98H139N23O12S4 and a molecular weight of 1959.61 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 158904312
• Molecular Formula: C98H139N23O12S4
• Molecular Weight: 1959.61 g/mol
• Exact Mass: 1957.99
• IUPAC Name: 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
• SMILES: CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCc2n[nH]c(=O)[nH]2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NCC2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
• InChI: InChI=1S/C25H35N5O3S.2C25H37N5O3S.C23H30N8O3S/c1-15-11-19(26-12-17-8-5-9-17)27-13-18(15)21-20(24(32)30-10-6-7-16(30)2)29-23(34-21)22(31)28-14-25(3,4)33;1-14(2)17(5)28-19-11-15(3)18(12-26-19)21-20(24(32)30-10-8-9-16(30)4)29-23(34-21)22(31)27-13-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-12-9-15(28-23(3,4)5)24-10-14(12)18-17(21(33)31-8-6-7-13(31)2)27-20(35-18)19(32)25-11-16-26-22(34)30-29-16/h11,13,16-17,33H,5-10,12,14H2,1-4H3,(H,26,27)(H,28,31);11-12,14,16-17,33H,8-10,13H2,1-7H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);9-10,13H,6-8,11H2,1-5H3,(H,24,28)(H,25,32)(H2,26,29,30,34)/t16-;16-,17+;16-;13-/m0000/s1
• InChIKey: JFVSKTHXMUTDLY-LRHRVZAPSA-N
• XLogP: 14.87
• TPSA: 471.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1959.61
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 158904312) is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCc2n[nH]c(=O)[nH]2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NCC2CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.

What is the InChIKey of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

The InChIKey is JFVSKTHXMUTDLY-LRHRVZAPSA-N. The full InChI is InChI=1S/C25H35N5O3S.2C25H37N5O3S.C23H30N8O3S/c1-15-11-19(26-12-17-8-5-9-17)27-13-18(15)21-20(24(32)30-10-6-7-16(30)2)29-23(34-21)22(31)28-14-25(3,4)33;1-14(2)17(5)28-19-11-15(3)18(12-26-19)21-20(24(32)30-10-8-9-16(30)4)29-23(34-21)22(31)27-13-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-12-9-15(28-23(3,4)5)24-10-14(12)18-17(21(33)31-8-6-7-13(31)2)27-20(35-18)19(32)25-11-16-26-22(34)30-29-16/h11,13,16-17,33H,5-10,12,14H2,1-4H3,(H,26,27)(H,28,31);11-12,14,16-17,33H,8-10,13H2,1-7H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);9-10,13H,6-8,11H2,1-5H3,(H,24,28)(H,25,32)(H2,26,29,30,34)/t16-;16-,17+;16-;13-/m0000/s1.

What are the key properties of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 1959.61 g/mol, XLogP of 14.87, 30 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclobutylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158904312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).