5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C95H134F2N20O12S4 — CID 157317456

IUPAC5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C24H33F2N5O3S.C24H33N5O3S.C24H35N5O3S.C23H33N5O3S/c1-13-8-16(30-22(3,4)5)27-10-15(13)18-17(21(33)31-12-24(25,26)9-14(31)2)29-20(35-18)19(32)28-11-23(6,7)34;1-14-10-17(27-23(3,4)5)25-11-16(14)19-18(21(30)29-9-7-8-15(29)2)26-20(33-19)22(31)28-12-24(6,32)13-28;1-14(2)27-18-11-15(3)17(12-25-18)20-19(23(31)29-10-8-7-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32;1-13-10-17(27-23(4,5)6)24-11-16(13)19-18(22(31)28-9-7-8-15(28)3)26-21(32-19)20(30)25-14(2)12-29/h8,10,14,34H,9,11-12H2,1-7H3,(H,27,30)(H,28,32);10-11,15,32H,7-9,12-13H2,1-6H3,(H,25,27);11-12,14,16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30);10-11,14-15,29H,7-9,12H2,1-6H3,(H,24,27)(H,25,30)/t14-;15-;16-;14-,15+/m0001/s1
InChIKeyBDTTVXGQHQYVSB-JLNYSBDJSA-N
MW1914.51 g/mol
LogP14.96
Rot. Bonds23

About 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide

5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 157317456) has the molecular formula C95H134F2N20O12S4 and a molecular weight of 1914.51 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID157317456
Molecular FormulaC95H134F2N20O12S4
Molecular Weight1914.51 g/mol
Exact Mass1912.93
IUPAC Name5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C24H33F2N5O3S.C24H33N5O3S.C24H35N5O3S.C23H33N5O3S/c1-13-8-16(30-22(3,4)5)27-10-15(13)18-17(21(33)31-12-24(25,26)9-14(31)2)29-20(35-18)19(32)28-11-23(6,7)34;1-14-10-17(27-23(3,4)5)25-11-16(14)19-18(21(30)29-9-7-8-15(29)2)26-20(33-19)22(31)28-12-24(6,32)13-28;1-14(2)27-18-11-15(3)17(12-25-18)20-19(23(31)29-10-8-7-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32;1-13-10-17(27-23(4,5)6)24-11-16(13)19-18(22(31)28-9-7-8-15(28)3)26-21(32-19)20(30)25-14(2)12-29/h8,10,14,34H,9,11-12H2,1-7H3,(H,27,30)(H,28,32);10-11,15,32H,7-9,12-13H2,1-6H3,(H,25,27);11-12,14,16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30);10-11,14-15,29H,7-9,12H2,1-6H3,(H,24,27)(H,25,30)/t14-;15-;16-;14-,15+/m0001/s1
InChIKeyBDTTVXGQHQYVSB-JLNYSBDJSA-N
XLogP14.96
TPSA421.01 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.51
LogP ≤ 514.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 157317456) is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is BDTTVXGQHQYVSB-JLNYSBDJSA-N. The full InChI is InChI=1S/C24H33F2N5O3S.C24H33N5O3S.C24H35N5O3S.C23H33N5O3S/c1-13-8-16(30-22(3,4)5)27-10-15(13)18-17(21(33)31-12-24(25,26)9-14(31)2)29-20(35-18)19(32)28-11-23(6,7)34;1-14-10-17(27-23(3,4)5)25-11-16(14)19-18(21(30)29-9-7-8-15(29)2)26-20(33-19)22(31)28-12-24(6,32)13-28;1-14(2)27-18-11-15(3)17(12-25-18)20-19(23(31)29-10-8-7-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32;1-13-10-17(27-23(4,5)6)24-11-16(13)19-18(22(31)28-9-7-8-15(28)3)26-21(32-19)20(30)25-14(2)12-29/h8,10,14,34H,9,11-12H2,1-7H3,(H,27,30)(H,28,32);10-11,15,32H,7-9,12-13H2,1-6H3,(H,25,27);11-12,14,16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30);10-11,14-15,29H,7-9,12H2,1-6H3,(H,24,27)(H,25,30)/t14-;15-;16-;14-,15+/m0001/s1.
What are the key properties of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 1914.51 g/mol, XLogP of 14.96, 23 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157317456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).