2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene

C180H270N10O3S5 — CID 159687363

About 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene

2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene (PubChem CID 159687363) has the molecular formula C180H270N10O3S5 and a molecular weight of 2782.54 g/mol. Its IUPAC name is 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene.

Molecular Properties

• Compound Name: 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene
• PubChem CID: 159687363
• Molecular Formula: C180H270N10O3S5
• Molecular Weight: 2782.54 g/mol
• Exact Mass: 2779.99
• IUPAC Name: 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(c2ccc(C)cc2)C2OC(C)OC12.Cc1ccc(-c2ccc(C)c3nsnc23)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccn(C)n2)cc1.Cc1ccc(-c2cscc2C)cc1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccc(-c2ncc(C)s2)cc1.Cc1ccc(-n2ccc(C)n2)cc1
• InChI: InChI=1S/C16H18O2.C14H12N2S.2C13H13N.C12H12O.2C12H12S.2C11H12N2.2C11H11NS.22C2H6/c1-10-4-7-13(8-5-10)14-9-6-11(2)15-16(14)18-12(3)17-15;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14(12)16-17-15-13;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-11(6-4-9)12-8-13-7-10(12)2;1-9-3-5-10(6-4-9)11-7-8-13(2)12-11;1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;22*1-2/h4-9,12,15-16H,1-3H3;3-8H,1-2H3;2*3-9H,1-2H3;5*3-8H,1-2H3;2*3-7H,1-2H3;22*1-2H3
• InChIKey: MVYUNFNMNYKGLW-UHFFFAOYSA-N
• XLogP: 60.12
• TPSA: 144.58 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2782.54
LogP ≤ 5	60.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene?

The IUPAC name of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene (CID 159687363) is 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene.

What is the SMILES notation for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene?

The canonical SMILES for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(c2ccc(C)cc2)C2OC(C)OC12.Cc1ccc(-c2ccc(C)c3nsnc23)cc1.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccn(C)n2)cc1.Cc1ccc(-c2cscc2C)cc1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccc(-c2ncc(C)s2)cc1.Cc1ccc(-n2ccc(C)n2)cc1.

What is the InChIKey of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene?

The InChIKey is MVYUNFNMNYKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C14H12N2S.2C13H13N.C12H12O.2C12H12S.2C11H12N2.2C11H11NS.22C2H6/c1-10-4-7-13(8-5-10)14-9-6-11(2)15-16(14)18-12(3)17-15;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14(12)16-17-15-13;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-11(6-4-9)12-8-13-7-10(12)2;1-9-3-5-10(6-4-9)11-7-8-13(2)12-11;1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;22*1-2/h4-9,12,15-16H,1-3H3;3-8H,1-2H3;2*3-9H,1-2H3;5*3-8H,1-2H3;2*3-7H,1-2H3;22*1-2H3.

What are the key properties of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene?

2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene has a molecular weight of 2782.54 g/mol, XLogP of 60.12, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene is sourced from PubChem (CID 159687363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).