2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole

C141H168N20O4S4 — CID 160840890

About 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole

2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole (PubChem CID 160840890) has the molecular formula C141H168N20O4S4 and a molecular weight of 2335.30 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole.

Molecular Properties

• Compound Name: 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole
• PubChem CID: 160840890
• Molecular Formula: C141H168N20O4S4
• Molecular Weight: 2335.30 g/mol
• Exact Mass: 2333.24
• IUPAC Name: 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole
• SMILES: C.C.C.C.C.C.Cc1ccc(-c2csc(C)n2)cc1.Cc1ccc(C#N)cn1.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2ccccc2n1.Cc1ccc2nc(C)sc2c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncn1.Cc1cnccn1.Cc1csc(C)n1.Cc1nccc2ccccc12.Cc1nccc2sccc12.Cc1ncccn1.Cc1noc2ccccc12
• InChI: InChI=1S/C11H11NS.C10H12N2.2C10H9N.C9H9NS.C8H7NO.C8H7NS.C8H8O2.C7H6N2.2C7H9N.C7H8O.C7H8.C6H7N.3C5H6N2.C5H7NS.6CH4/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-3-5-10-8(7)2-4-9-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7(4-8)5-9-6;2*1-6-3-4-8-7(2)5-6;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-3-7-5(2)6-4;;;;;;/h3-7H,1-2H3;4-6H,1-3H3;2*2-7H,1H3;3-5H,1-2H3;2*2-5H,1H3;2-4H,5H2,1H3;2-3,5H,1H3;2*3-5H,1-2H3;2-5,8H,1H3;2-6H,1H3;2-5H,1H3;3*2-4H,1H3;3H,1-2H3;6*1H4
• InChIKey: SHZZLLXCRMLRDO-UHFFFAOYSA-N
• XLogP: 37.76
• TPSA: 312.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 1
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.30
LogP ≤ 5	37.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole?

The IUPAC name of 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole (CID 160840890) is 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole.

What is the SMILES notation for 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole?

The canonical SMILES for 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole is C.C.C.C.C.C.Cc1ccc(-c2csc(C)n2)cc1.Cc1ccc(C#N)cn1.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2ccccc2n1.Cc1ccc2nc(C)sc2c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncn1.Cc1cnccn1.Cc1csc(C)n1.Cc1nccc2ccccc12.Cc1nccc2sccc12.Cc1ncccn1.Cc1noc2ccccc12.

What is the InChIKey of 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole?

The InChIKey is SHZZLLXCRMLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C10H12N2.2C10H9N.C9H9NS.C8H7NO.C8H7NS.C8H8O2.C7H6N2.2C7H9N.C7H8O.C7H8.C6H7N.3C5H6N2.C5H7NS.6CH4/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-3-5-10-8(7)2-4-9-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7(4-8)5-9-6;2*1-6-3-4-8-7(2)5-6;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-3-7-5(2)6-4;;;;;;/h3-7H,1-2H3;4-6H,1-3H3;2*2-7H,1H3;3-5H,1-2H3;2*2-5H,1H3;2-4H,5H2,1H3;2-3,5H,1H3;2*3-5H,1-2H3;2-5,8H,1H3;2-6H,1H3;2-5H,1H3;3*2-4H,1H3;3H,1-2H3;6*1H4.

What are the key properties of 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole?

2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole has a molecular weight of 2335.30 g/mol, XLogP of 37.76, 1 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);2,4-dimethyl-1,3-thiazole;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;1-methylisoquinoline;2-methyl-4-(4-methylphenyl)-1,3-thiazole;3-methylphenol;2-methylpyrazine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;toluene;1,2,5-trimethylbenzimidazole is sourced from PubChem (CID 160840890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).