4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide

C119H164F2N26O16S6 — CID 162051107

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 162051107) has the molecular formula C119H164F2N26O16S6 and a molecular weight of 2445.18 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 162051107
• Molecular Formula: C119H164F2N26O16S6
• Molecular Weight: 2445.18 g/mol
• Exact Mass: 2443.11
• IUPAC Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide
• SMILES: CC[C@@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)C)cc2C)s1.CC[C@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)C)cc2C)s1.C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CN(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1C2CCC1CC2
• InChI: InChI=1S/C25H33F2N5O3S.C25H33N5O3S.C23H32N6O4S2.2C23H33N5O3S/c1-14-6-5-9-32(14)24(34)19-20(36-23(30-19)22(33)29-15-7-10-35-11-8-15)17-13-28-18(31-25(2,3)4)12-16(17)21(26)27;1-13(2)27-20-10-14(3)19(12-26-20)22-21(25(33)30-16-5-6-17(30)8-7-16)29-24(34-22)23(32)28-15-4-9-18(31)11-15;1-13(2)25-18-9-14(3)17(10-24-18)20-19(23(31)29-8-6-7-15(29)4)27-22(34-20)21(30)26-16-11-28(12-16)35(5,32)33;2*1-6-16(12-29)26-21(30)22-27-19(23(31)28-9-7-8-15(28)5)20(32-22)17-11-24-18(10-14(17)4)25-13(2)3/h12-15,21H,5-11H2,1-4H3,(H,28,31)(H,29,33);10,12-13,15-18,31H,4-9,11H2,1-3H3,(H,26,27)(H,28,32);9-10,13,15-16H,6-8,11-12H2,1-5H3,(H,24,25)(H,26,30);2*10-11,13,15-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-;15-,16?,17?,18-;15-;15-,16+;15-,16-/m00000/s1
• InChIKey: YYOFBNQVSLCSSU-NHYBUOFBSA-N
• XLogP: 17.88
• TPSA: 543.40 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.18
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide (CID 162051107) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide is CC[C@@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)C)cc2C)s1.CC[C@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)C)cc2C)s1.C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CN(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1C2CCC1CC2.

What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is YYOFBNQVSLCSSU-NHYBUOFBSA-N. The full InChI is InChI=1S/C25H33F2N5O3S.C25H33N5O3S.C23H32N6O4S2.2C23H33N5O3S/c1-14-6-5-9-32(14)24(34)19-20(36-23(30-19)22(33)29-15-7-10-35-11-8-15)17-13-28-18(31-25(2,3)4)12-16(17)21(26)27;1-13(2)27-20-10-14(3)19(12-26-20)22-21(25(33)30-16-5-6-17(30)8-7-16)29-24(34-22)23(32)28-15-4-9-18(31)11-15;1-13(2)25-18-9-14(3)17(10-24-18)20-19(23(31)29-8-6-7-15(29)4)27-22(34-20)21(30)26-16-11-28(12-16)35(5,32)33;2*1-6-16(12-29)26-21(30)22-27-19(23(31)28-9-7-8-15(28)5)20(32-22)17-11-24-18(10-14(17)4)25-13(2)3/h12-15,21H,5-11H2,1-4H3,(H,28,31)(H,29,33);10,12-13,15-18,31H,4-9,11H2,1-3H3,(H,26,27)(H,28,32);9-10,13,15-16H,6-8,11-12H2,1-5H3,(H,24,25)(H,26,30);2*10-11,13,15-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-;15-,16?,17?,18-;15-;15-,16+;15-,16-/m00000/s1.

What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide?

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 2445.18 g/mol, XLogP of 17.88, 35 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide;N-[(2S)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(2R)-1-hydroxybutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(1-methylsulfonylazetidin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 162051107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).