4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide

C125H169N25O17S6 — CID 161191379

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide (PubChem CID 161191379) has the molecular formula C125H169N25O17S6 and a molecular weight of 2486.29 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide
• PubChem CID: 161191379
• Molecular Formula: C125H169N25O17S6
• Molecular Weight: 2486.29 g/mol
• Exact Mass: 2484.15
• IUPAC Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide
• SMILES: Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NC2CC(C)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NCC2(O)COC2)nc1C(=O)N1CCC[C@@H]1C.O=S=O
• InChI: InChI=1S/C26H35N5O3S.C26H35N5O2S.C25H33N5O4S.C25H33N5O3S.C23H33N5O3S.O2S/c1-15-12-20(29-16-6-4-5-7-16)27-13-19(15)22-21(25(33)31-17-8-9-18(31)11-10-17)30-24(35-22)23(32)28-14-26(2,3)34;1-15-11-19(12-15)29-24(32)25-30-22(26(33)31-10-6-7-17(31)3)23(34-25)20-14-27-21(13-16(20)2)28-18-8-4-5-9-18;1-15-10-19(28-17-7-3-4-8-17)26-11-18(15)21-20(24(32)30-9-5-6-16(30)2)29-23(35-21)22(31)27-12-25(33)13-34-14-25;1-14-10-20(27-16-7-3-4-8-16)26-13-19(14)22-21(25(33)30-9-5-6-15(30)2)29-24(34-22)23(32)28-17-11-18(31)12-17;1-13(2)26-17-10-14(3)16(11-24-17)19-18(22(30)28-9-7-8-15(28)4)27-21(32-19)20(29)25-12-23(5,6)31;1-3-2/h12-13,16-18,34H,4-11,14H2,1-3H3,(H,27,29)(H,28,32);13-15,17-19H,4-12H2,1-3H3,(H,27,28)(H,29,32);10-11,16-17,33H,3-9,12-14H2,1-2H3,(H,26,28)(H,27,31);10,13,15-18,31H,3-9,11-12H2,1-2H3,(H,26,27)(H,28,32);10-11,13,15,31H,7-9,12H2,1-6H3,(H,24,26)(H,25,29);/t;15?,17-,19?;16-;15-,17?,18?;15-;/m.0000./s1
• InChIKey: UTTOTJVHAAIQOE-UBVAQJGYSA-N
• XLogP: 18.67
• TPSA: 560.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2486.29
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide?

The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide (CID 161191379) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide.

What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide?

The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide is Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NC2CC(C)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC2CCCC2)ncc1-c1sc(C(=O)NCC2(O)COC2)nc1C(=O)N1CCC[C@@H]1C.O=S=O.

What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide?

The InChIKey is UTTOTJVHAAIQOE-UBVAQJGYSA-N. The full InChI is InChI=1S/C26H35N5O3S.C26H35N5O2S.C25H33N5O4S.C25H33N5O3S.C23H33N5O3S.O2S/c1-15-12-20(29-16-6-4-5-7-16)27-13-19(15)22-21(25(33)31-17-8-9-18(31)11-10-17)30-24(35-22)23(32)28-14-26(2,3)34;1-15-11-19(12-15)29-24(32)25-30-22(26(33)31-10-6-7-17(31)3)23(34-25)20-14-27-21(13-16(20)2)28-18-8-4-5-9-18;1-15-10-19(28-17-7-3-4-8-17)26-11-18(15)21-20(24(32)30-9-5-6-16(30)2)29-23(35-21)22(31)27-12-25(33)13-34-14-25;1-14-10-20(27-16-7-3-4-8-16)26-13-19(14)22-21(25(33)30-9-5-6-15(30)2)29-24(34-22)23(32)28-17-11-18(31)12-17;1-13(2)26-17-10-14(3)16(11-24-17)19-18(22(30)28-9-7-8-15(28)4)27-21(32-19)20(29)25-12-23(5,6)31;1-3-2/h12-13,16-18,34H,4-11,14H2,1-3H3,(H,27,29)(H,28,32);13-15,17-19H,4-12H2,1-3H3,(H,27,28)(H,29,32);10-11,16-17,33H,3-9,12-14H2,1-2H3,(H,26,28)(H,27,31);10,13,15-18,31H,3-9,11-12H2,1-2H3,(H,26,27)(H,28,32);10-11,13,15,31H,7-9,12H2,1-6H3,(H,24,26)(H,25,29);/t;15?,17-,19?;16-;15-,17?,18?;15-;/m.0000./s1.

What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide?

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide has a molecular weight of 2486.29 g/mol, XLogP of 18.67, 33 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(cyclopentylamino)-4-methyl-3-pyridinyl]-N-(3-methylcyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;sulfur dioxide is sourced from PubChem (CID 161191379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).