4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide

C97H126F8N20O13S5 — CID 161113032

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 161113032) has the molecular formula C97H126F8N20O13S5 and a molecular weight of 2092.52 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 161113032
• Molecular Formula: C97H126F8N20O13S5
• Molecular Weight: 2092.52 g/mol
• Exact Mass: 2090.83
• IUPAC Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide
• SMILES: CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CC(O)C3)nc2C(=O)N2CCC(F)(F)C2)cn1.C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CC[C@@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1CC(F)(F)C[C@@H]1C
• InChI: InChI=1S/C26H35N5O4S2.C25H33F2N5O3S.C23H27F4N5O3S.C23H31F2N5O3S/c1-15-13-20(30-26(2,3)4)27-14-19(15)22-21(25(33)31-17-5-6-18(31)8-7-17)29-24(36-22)23(32)28-16-9-11-37(34,35)12-10-16;1-13-6-5-9-32(13)24(35)19-20(36-23(30-19)22(34)29-14-7-8-15(33)10-14)17-12-28-18(31-25(2,3)4)11-16(17)21(26)27;1-22(2,3)31-15-8-13(18(24)25)14(9-28-15)17-16(21(35)32-5-4-23(26,27)10-32)30-20(36-17)19(34)29-11-6-12(33)7-11;1-12-7-16(29-22(4,5)6)26-9-15(12)18-17(21(33)30-11-23(24,25)8-14(30)3)28-20(34-18)19(32)27-13(2)10-31/h13-14,16-18H,5-12H2,1-4H3,(H,27,30)(H,28,32);11-15,21,33H,5-10H2,1-4H3,(H,28,31)(H,29,34);8-9,11-12,18,33H,4-7,10H2,1-3H3,(H,28,31)(H,29,34);7,9,13-14,31H,8,10-11H2,1-6H3,(H,26,29)(H,27,32)/t;13-,14+,15+;;13-,14+/m.0.1/s1
• InChIKey: UJYIICMGTMVJRO-NXKAOHFISA-N
• XLogP: 16.21
• TPSA: 443.71 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.52
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide (CID 161113032) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide is CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CC(O)C3)nc2C(=O)N2CCC(F)(F)C2)cn1.C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CC[C@@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1CC(F)(F)C[C@@H]1C.

What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is UJYIICMGTMVJRO-NXKAOHFISA-N. The full InChI is InChI=1S/C26H35N5O4S2.C25H33F2N5O3S.C23H27F4N5O3S.C23H31F2N5O3S/c1-15-13-20(30-26(2,3)4)27-14-19(15)22-21(25(33)31-17-5-6-18(31)8-7-17)29-24(36-22)23(32)28-16-9-11-37(34,35)12-10-16;1-13-6-5-9-32(13)24(35)19-20(36-23(30-19)22(34)29-14-7-8-15(33)10-14)17-12-28-18(31-25(2,3)4)11-16(17)21(26)27;1-22(2,3)31-15-8-13(18(24)25)14(9-28-15)17-16(21(35)32-5-4-23(26,27)10-32)30-20(36-17)19(34)29-11-6-12(33)7-11;1-12-7-16(29-22(4,5)6)26-9-15(12)18-17(21(33)30-11-23(24,25)8-14(30)3)28-20(34-18)19(32)27-13(2)10-31/h13-14,16-18H,5-12H2,1-4H3,(H,27,30)(H,28,32);11-15,21,33H,5-10H2,1-4H3,(H,28,31)(H,29,34);8-9,11-12,18,33H,4-7,10H2,1-3H3,(H,28,31)(H,29,34);7,9,13-14,31H,8,10-11H2,1-6H3,(H,26,29)(H,27,32)/t;13-,14+,15+;;13-,14+/m.0.1/s1.

What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide?

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 2092.52 g/mol, XLogP of 16.21, 23 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 161113032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).