6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine

C159H148N12O6S6+6 — CID 157054593

About 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine

6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 157054593) has the molecular formula C159H148N12O6S6+6 and a molecular weight of 2515.41 g/mol. Its IUPAC name is 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 157054593
• Molecular Formula: C159H148N12O6S6+6
• Molecular Weight: 2515.41 g/mol
• Exact Mass: 2512.99
• IUPAC Name: 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2c(C)cccc2C)sc(-c2ccccc2)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2c(C)cccc2C)sc(C(C)C)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2ccccc2)sc(-c2ccccc2)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2ccccc2)sc(C(C)C)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(C(C)(C)C)sc(-c2ccccc2)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(C(C)(C)C)sc(C(C)C)c1C
• InChI: InChI=1S/C30H25N2OS.C28H21N2OS.C27H27N2OS.C26H25N2OS.C25H23N2OS.C23H27N2OS/c1-18-10-8-11-19(2)27(18)30-32(21(4)28(34-30)22-12-6-5-7-13-22)25-17-24-23-14-9-15-31-29(23)33-26(24)16-20(25)3;1-18-16-25-23(22-14-9-15-29-27(22)31-25)17-24(18)30-19(2)26(20-10-5-3-6-11-20)32-28(30)21-12-7-4-8-13-21;1-15(2)25-19(6)29(27(31-25)24-16(3)9-7-10-17(24)4)22-14-21-20-11-8-12-28-26(20)30-23(21)13-18(22)5;1-16-14-22-20(19-12-9-13-27-24(19)29-22)15-21(16)28-17(2)23(18-10-7-6-8-11-18)30-25(28)26(3,4)5;1-15(2)23-17(4)27(25(29-23)18-9-6-5-7-10-18)21-14-20-19-11-8-12-26-24(19)28-22(20)13-16(21)3;1-13(2)20-15(4)25(22(27-20)23(5,6)7)18-12-17-16-9-8-10-24-21(16)26-19(17)11-14(18)3/h5-17H,1-4H3;3-17H,1-2H3;7-15H,1-6H3;6-15H,1-5H3;5-15H,1-4H3;8-13H,1-7H3/q6*+1
• InChIKey: POVZPAYRNSRQJD-UHFFFAOYSA-N
• XLogP: 42.48
• TPSA: 179.46 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.41
LogP ≤ 5	42.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine (CID 157054593) is 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine is Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2c(C)cccc2C)sc(-c2ccccc2)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2c(C)cccc2C)sc(C(C)C)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2ccccc2)sc(-c2ccccc2)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(-c2ccccc2)sc(C(C)C)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(C(C)(C)C)sc(-c2ccccc2)c1C.Cc1cc2oc3ncccc3c2cc1-[n+]1c(C(C)(C)C)sc(C(C)C)c1C.

What is the InChIKey of 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is POVZPAYRNSRQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N2OS.C28H21N2OS.C27H27N2OS.C26H25N2OS.C25H23N2OS.C23H27N2OS/c1-18-10-8-11-19(2)27(18)30-32(21(4)28(34-30)22-12-6-5-7-13-22)25-17-24-23-14-9-15-31-29(23)33-26(24)16-20(25)3;1-18-16-25-23(22-14-9-15-29-27(22)31-25)17-24(18)30-19(2)26(20-10-5-3-6-11-20)32-28(30)21-12-7-4-8-13-21;1-15(2)25-19(6)29(27(31-25)24-16(3)9-7-10-17(24)4)22-14-21-20-11-8-12-28-26(20)30-23(21)13-18(22)5;1-16-14-22-20(19-12-9-13-27-24(19)29-22)15-21(16)28-17(2)23(18-10-7-6-8-11-18)30-25(28)26(3,4)5;1-15(2)23-17(4)27(25(29-23)18-9-6-5-7-10-18)21-14-20-19-11-8-12-26-24(19)28-22(20)13-16(21)3;1-13(2)20-15(4)25(22(27-20)23(5,6)7)18-12-17-16-9-8-10-24-21(16)26-19(17)11-14(18)3/h5-17H,1-4H3;3-17H,1-2H3;7-15H,1-6H3;6-15H,1-5H3;5-15H,1-4H3;8-13H,1-7H3/q6*+1.

What are the key properties of 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine?

6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2515.41 g/mol, XLogP of 42.48, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-tert-butyl-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-(2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-phenyl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[2-(2,6-dimethylphenyl)-4-methyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2,5-diphenyl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazol-3-ium-3-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157054593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).