2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene

C73H86N6O2S5 — CID 158876447

About 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene

2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene (PubChem CID 158876447) has the molecular formula C73H86N6O2S5 and a molecular weight of 1239.87 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene.

Molecular Properties

• Compound Name: 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene
• PubChem CID: 158876447
• Molecular Formula: C73H86N6O2S5
• Molecular Weight: 1239.87 g/mol
• Exact Mass: 1238.54
• IUPAC Name: 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene
• SMILES: CCc1ccc(C)cc1.CCc1ccc(OC)c(OC)c1.Cc1ccc(-c2csc(C)n2)cc1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1csc(C)n1.Cc1nc(-c2ccccc2)c(C)s1.Cc1nc2ccccc2s1.Cc1nccs1
• InChI: InChI=1S/2C11H11NS.C10H14O2.C9H12.C8H7NS.C8H10.C7H9N.C5H7NS.C4H5NS/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11;1-8-11(12-9(2)13-8)10-6-4-3-5-7-10;1-4-8-5-6-9(11-2)10(7-8)12-3;1-3-9-6-4-8(2)5-7-9;1-6-9-7-4-2-3-5-8(7)10-6;1-7-4-3-5-8(2)6-7;1-6-4-3-5-7(2)8-6;1-4-3-7-5(2)6-4;1-4-5-2-3-6-4/h2*3-7H,1-2H3;5-7H,4H2,1-3H3;4-7H,3H2,1-2H3;2-5H,1H3;3-6H,1-2H3;3-5H,1-2H3;3H,1-2H3;2-3H,1H3
• InChIKey: JCMLFXPDMRZPEE-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 95.80 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.87
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene?

The IUPAC name of 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene (CID 158876447) is 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene.

What is the SMILES notation for 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene?

The canonical SMILES for 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene is CCc1ccc(C)cc1.CCc1ccc(OC)c(OC)c1.Cc1ccc(-c2csc(C)n2)cc1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1csc(C)n1.Cc1nc(-c2ccccc2)c(C)s1.Cc1nc2ccccc2s1.Cc1nccs1.

What is the InChIKey of 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene?

The InChIKey is JCMLFXPDMRZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11NS.C10H14O2.C9H12.C8H7NS.C8H10.C7H9N.C5H7NS.C4H5NS/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11;1-8-11(12-9(2)13-8)10-6-4-3-5-7-10;1-4-8-5-6-9(11-2)10(7-8)12-3;1-3-9-6-4-8(2)5-7-9;1-6-9-7-4-2-3-5-8(7)10-6;1-7-4-3-5-8(2)6-7;1-6-4-3-5-7(2)8-6;1-4-3-7-5(2)6-4;1-4-5-2-3-6-4/h2*3-7H,1-2H3;5-7H,4H2,1-3H3;4-7H,3H2,1-2H3;2-5H,1H3;3-6H,1-2H3;3-5H,1-2H3;3H,1-2H3;2-3H,1H3.

What are the key properties of 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene?

2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene has a molecular weight of 1239.87 g/mol, XLogP of 21.50, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4-phenyl-1,3-thiazole;2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;4-ethyl-1,2-dimethoxybenzene;1-ethyl-4-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;2-methyl-1,3-thiazole;1,3-xylene is sourced from PubChem (CID 158876447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).