6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine

C144H185Cl3F3N25O5S3 — CID 159972989

About 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine

6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine (PubChem CID 159972989) has the molecular formula C144H185Cl3F3N25O5S3 and a molecular weight of 2605.79 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine
• PubChem CID: 159972989
• Molecular Formula: C144H185Cl3F3N25O5S3
• Molecular Weight: 2605.79 g/mol
• Exact Mass: 2602.32
• IUPAC Name: 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine
• SMILES: C.C.C.C.C.C.C.CCN1CCc2ncc(C)nc2CC1.CCOCCOc1ccc(C)nn1.COc1cccc2c1nc(C)n2C.Cc1cc(Cl)ncc1O.Cc1cc2ccccc2cn1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nn1.Cc1ccc(C)nn1.Cc1ccc(Cl)cn1.Cc1ccc2nc(C)ccc2c1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1N(C)C.Cc1csc(C)n1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccccc2o1.Cc1nccc2ccccc12.Cc1nccs1
• InChI: InChI=1S/C11H17N3.C11H11N.C10H12N2O.2C10H9N.C9H14N2O2.C8H6ClNS.C8H12N2.C8H7NO.C7H6F3N.C6H6ClNO.C6H6ClN.2C6H8N2.2C6H7N.C5H7NS.C4H5NS.7CH4/c1-3-14-6-4-10-11(5-7-14)13-9(2)8-12-10;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-11-10-8(12(7)2)5-4-6-9(10)13-3;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-3-12-6-7-13-9-5-4-8(2)10-11-9;1-5-10-7-3-2-6(9)4-8(7)11-5;1-7-4-5-9-6-8(7)10(2)3;1-6-9-7-4-2-3-5-8(7)10-6;1-5-2-3-6(4-11-5)7(8,9)10;1-4-2-6(7)8-3-5(4)9;1-5-2-3-6(7)4-8-5;2*1-5-3-4-6(2)8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-4-3-7-5(2)6-4;1-4-5-2-3-6-4;;;;;;;/h8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2*2-7H,1H3;4-5H,3,6-7H2,1-2H3;2-4H,1H3;4-6H,1-3H3;2-5H,1H3;2-4H,1H3;2-3,9H,1H3;2-4H,1H3;2*3-4H,1-2H3;2*2-5H,1H3;3H,1-2H3;2-3H,1H3;7*1H4
• InChIKey: OEUHFHRVMNYODH-UHFFFAOYSA-N
• XLogP: 37.92
• TPSA: 356.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 8
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.79
LogP ≤ 5	37.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine?

The IUPAC name of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine (CID 159972989) is 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine.

What is the SMILES notation for 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine?

The canonical SMILES for 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine is C.C.C.C.C.C.C.CCN1CCc2ncc(C)nc2CC1.CCOCCOc1ccc(C)nn1.COc1cccc2c1nc(C)n2C.Cc1cc(Cl)ncc1O.Cc1cc2ccccc2cn1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nn1.Cc1ccc(C)nn1.Cc1ccc(Cl)cn1.Cc1ccc2nc(C)ccc2c1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1N(C)C.Cc1csc(C)n1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccccc2o1.Cc1nccc2ccccc12.Cc1nccs1.

What is the InChIKey of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine?

The InChIKey is OEUHFHRVMNYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C11H11N.C10H12N2O.2C10H9N.C9H14N2O2.C8H6ClNS.C8H12N2.C8H7NO.C7H6F3N.C6H6ClNO.C6H6ClN.2C6H8N2.2C6H7N.C5H7NS.C4H5NS.7CH4/c1-3-14-6-4-10-11(5-7-14)13-9(2)8-12-10;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-11-10-8(12(7)2)5-4-6-9(10)13-3;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-3-12-6-7-13-9-5-4-8(2)10-11-9;1-5-10-7-3-2-6(9)4-8(7)11-5;1-7-4-5-9-6-8(7)10(2)3;1-6-9-7-4-2-3-5-8(7)10-6;1-5-2-3-6(4-11-5)7(8,9)10;1-4-2-6(7)8-3-5(4)9;1-5-2-3-6(7)4-8-5;2*1-5-3-4-6(2)8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-4-3-7-5(2)6-4;1-4-5-2-3-6-4;;;;;;;/h8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2*2-7H,1H3;4-5H,3,6-7H2,1-2H3;2-4H,1H3;4-6H,1-3H3;2-5H,1H3;2-4H,1H3;2-3,9H,1H3;2-4H,1H3;2*3-4H,1-2H3;2*2-5H,1H3;3H,1-2H3;2-3H,1H3;7*1H4.

What are the key properties of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine?

6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine has a molecular weight of 2605.79 g/mol, XLogP of 37.92, 8 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyridine;6-chloro-4-methylpyridin-3-ol;bis(3,6-dimethylpyridazine);2,6-dimethylquinoline;2,4-dimethyl-1,3-thiazole;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;1-methylisoquinoline;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methyl-5-(trifluoromethyl)pyridine;N,N,4-trimethylpyridin-3-amine is sourced from PubChem (CID 159972989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).