4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

C101H134F2N20O12S4 — CID 157209587

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 157209587) has the molecular formula C101H134F2N20O12S4 and a molecular weight of 1986.57 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 157209587
• Molecular Formula: C101H134F2N20O12S4
• Molecular Weight: 1986.57 g/mol
• Exact Mass: 1984.93
• IUPAC Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
• SMILES: Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCOCC2)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H](C)C(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2
• InChI: InChI=1S/C26H33N5O3S.C26H35N5O3S.C25H35N5O3S.C24H31F2N5O3S/c1-13-11-21(28-14(2)15-3-4-15)27-12-18(13)23-22(26(34)31-16-5-6-17(31)8-7-16)30-25(35-23)24(33)29-19-9-10-20(19)32;1-14-12-20(30-26(2,3)4)27-13-17(14)22-21(25(34)31-15-8-9-16(31)11-10-15)29-24(35-22)23(33)28-18-6-5-7-19(18)32;1-13(2)27-19-11-14(3)18(12-26-19)21-20(24(32)30-16-7-8-17(30)10-9-16)29-23(34-21)22(31)28-15(4)25(5,6)33;1-13(2)28-18-9-14(3)17(11-27-18)20-19(23(33)31-12-24(25,26)10-15(31)4)30-22(35-20)21(32)29-16-5-7-34-8-6-16/h11-12,14-17,19-20,32H,3-10H2,1-2H3,(H,27,28)(H,29,33);12-13,15-16,18-19,32H,5-11H2,1-4H3,(H,27,30)(H,28,33);11-13,15-17,33H,7-10H2,1-6H3,(H,26,27)(H,28,31);9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,27,28)(H,29,32)/t14-,16?,17?,19+,20+;15?,16?,18-,19-;15-,16?,17?;15-/m1010/s1
• InChIKey: ARSWBQVFWKWNEA-UPUZVGGJSA-N
• XLogP: 15.98
• TPSA: 418.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.57
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 157209587) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCOCC2)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H](C)C(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.

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

The InChIKey is ARSWBQVFWKWNEA-UPUZVGGJSA-N. The full InChI is InChI=1S/C26H33N5O3S.C26H35N5O3S.C25H35N5O3S.C24H31F2N5O3S/c1-13-11-21(28-14(2)15-3-4-15)27-12-18(13)23-22(26(34)31-16-5-6-17(31)8-7-16)30-25(35-23)24(33)29-19-9-10-20(19)32;1-14-12-20(30-26(2,3)4)27-13-17(14)22-21(25(34)31-15-8-9-16(31)11-10-15)29-24(35-22)23(33)28-18-6-5-7-19(18)32;1-13(2)27-19-11-14(3)18(12-26-19)21-20(24(32)30-16-7-8-17(30)10-9-16)29-23(34-21)22(31)28-15(4)25(5,6)33;1-13(2)28-18-9-14(3)17(11-27-18)20-19(23(33)31-12-24(25,26)10-15(31)4)30-22(35-20)21(32)29-16-5-7-34-8-6-16/h11-12,14-17,19-20,32H,3-10H2,1-2H3,(H,27,28)(H,29,33);12-13,15-16,18-19,32H,5-11H2,1-4H3,(H,27,30)(H,28,33);11-13,15-17,33H,7-10H2,1-6H3,(H,26,27)(H,28,31);9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,27,28)(H,29,32)/t14-,16?,17?,19+,20+;15?,16?,18-,19-;15-,16?,17?;15-/m1010/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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 1986.57 g/mol, XLogP of 15.98, 25 rotatable bonds, 11 hydrogen bond donors, and 28 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-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157209587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).