2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole

C163H168F3N15S8+6 — CID 160970041

About 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole

2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole (PubChem CID 160970041) has the molecular formula C163H168F3N15S8+6 and a molecular weight of 2650.77 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
• PubChem CID: 160970041
• Molecular Formula: C163H168F3N15S8+6
• Molecular Weight: 2650.77 g/mol
• Exact Mass: 2648.13
• IUPAC Name: 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
• SMILES: Cc1c(-c2cc(-c3nc(CC(C)(C)C(F)(F)F)cs3)nc[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3C)[n+](C)c3ccccc23)n1.Cc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3C)[n+](C)cn2)n1.Cc1csc(-c2ccc3c(-c4cc(C(C)(C)C)c5ccccc5c4C)[n+](C)ccc3c2)n1.Cc1csc(-c2csc3c(-c4cc(C(C)(C)C)c5ccccc5c4C)[n+](C)ccc23)n1.Cc1csc(-c2csc3c(-c4cc(C(C)(C)C)c5ccccc5c4C)[n+](C)cnc23)n1
• InChI: InChI=1S/2C29H29N2S.C28H31F3N3S.C27H27N2S2.C26H26N3S2.C24H26N3S/c1-18-17-32-28(30-18)24-16-27(31(6)26-14-10-9-13-22(24)26)23-15-25(29(3,4)5)21-12-8-7-11-20(21)19(23)2;1-18-17-32-28(30-18)21-11-12-23-20(15-21)13-14-31(6)27(23)25-16-26(29(3,4)5)24-10-8-7-9-22(24)19(25)2;1-17-19-10-8-9-11-20(19)22(26(2,3)4)12-21(17)24-13-23(32-16-34(24)7)25-33-18(15-35-25)14-27(5,6)28(29,30)31;1-16-14-31-26(28-16)22-15-30-25-20(22)11-12-29(6)24(25)21-13-23(27(3,4)5)19-10-8-7-9-18(19)17(21)2;1-15-12-31-25(28-15)20-13-30-24-22(20)27-14-29(6)23(24)19-11-21(26(3,4)5)18-10-8-7-9-17(18)16(19)2;1-15-13-28-23(26-15)21-12-22(27(6)14-25-21)19-11-20(24(3,4)5)18-10-8-7-9-17(18)16(19)2/h2*7-17H,1-6H3;8-13,15-16H,14H2,1-7H3;7-15H,1-6H3;7-14H,1-6H3;7-14H,1-6H3/q6*+1
• InChIKey: SQYRKSNEDRQREV-UHFFFAOYSA-N
• XLogP: 42.96
• TPSA: 139.29 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.77
LogP ≤ 5	42.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole?

The IUPAC name of 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole (CID 160970041) is 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole.

What is the SMILES notation for 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole?

The canonical SMILES for 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole is Cc1c(-c2cc(-c3nc(CC(C)(C)C(F)(F)F)cs3)nc[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3C)[n+](C)c3ccccc23)n1.Cc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3C)[n+](C)cn2)n1.Cc1csc(-c2ccc3c(-c4cc(C(C)(C)C)c5ccccc5c4C)[n+](C)ccc3c2)n1.Cc1csc(-c2csc3c(-c4cc(C(C)(C)C)c5ccccc5c4C)[n+](C)ccc23)n1.Cc1csc(-c2csc3c(-c4cc(C(C)(C)C)c5ccccc5c4C)[n+](C)cnc23)n1.

What is the InChIKey of 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole?

The InChIKey is SQYRKSNEDRQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29N2S.C28H31F3N3S.C27H27N2S2.C26H26N3S2.C24H26N3S/c1-18-17-32-28(30-18)24-16-27(31(6)26-14-10-9-13-22(24)26)23-15-25(29(3,4)5)21-12-8-7-11-20(21)19(23)2;1-18-17-32-28(30-18)21-11-12-23-20(15-21)13-14-31(6)27(23)25-16-26(29(3,4)5)24-10-8-7-9-22(24)19(25)2;1-17-19-10-8-9-11-20(19)22(26(2,3)4)12-21(17)24-13-23(32-16-34(24)7)25-33-18(15-35-25)14-27(5,6)28(29,30)31;1-16-14-31-26(28-16)22-15-30-25-20(22)11-12-29(6)24(25)21-13-23(27(3,4)5)19-10-8-7-9-18(19)17(21)2;1-15-12-31-25(28-15)20-13-30-24-22(20)27-14-29(6)23(24)19-11-21(26(3,4)5)18-10-8-7-9-17(18)16(19)2;1-15-13-28-23(26-15)21-12-22(27(6)14-25-21)19-11-20(24(3,4)5)18-10-8-7-9-17(18)16(19)2/h2*7-17H,1-6H3;8-13,15-16H,14H2,1-7H3;7-15H,1-6H3;7-14H,1-6H3;7-14H,1-6H3/q6*+1.

What are the key properties of 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole?

2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 2650.77 g/mol, XLogP of 42.96, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 160970041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).