4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene

C188H278N10OS9 — CID 157366761

About 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene

4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene (PubChem CID 157366761) has the molecular formula C188H278N10OS9 and a molecular weight of 2982.96 g/mol. Its IUPAC name is 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene.

Molecular Properties

• Compound Name: 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
• PubChem CID: 157366761
• Molecular Formula: C188H278N10OS9
• Molecular Weight: 2982.96 g/mol
• Exact Mass: 2979.95
• IUPAC Name: 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(C)C2NSNC12.Cc1ccc(-c2c(C)sc3c(C)c(C)sc23)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(-c2sc3c(C)c(C)sc3c2C)cc1.Cc1ccc(-n2ccc(C)n2)cc1
• InChI: InChI=1S/2C16H16S2.2C13H13N.C12H12O.2C12H12S.2C11H12N2.2C11H11NS.C8H12N2S.21C2H6/c1-9-5-7-13(8-6-9)14-11(3)16-15(18-14)10(2)12(4)17-16;1-9-5-7-13(8-6-9)14-12(4)18-15-10(2)11(3)17-16(14)15;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;1-5-3-4-6(2)8-7(5)9-11-10-8;21*1-2/h2*5-8H,1-4H3;2*3-9H,1-2H3;5*3-8H,1-2H3;2*3-7H,1-2H3;3-4,7-10H,1-2H3;21*1-2H3
• InChIKey: BJGWIGSDEHTJNF-UHFFFAOYSA-N
• XLogP: 64.76
• TPSA: 124.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2982.96
LogP ≤ 5	64.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The IUPAC name of 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene (CID 157366761) is 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene.

What is the SMILES notation for 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The canonical SMILES for 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(C)C2NSNC12.Cc1ccc(-c2c(C)sc3c(C)c(C)sc23)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(-c2sc3c(C)c(C)sc3c2C)cc1.Cc1ccc(-n2ccc(C)n2)cc1.

What is the InChIKey of 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The InChIKey is BJGWIGSDEHTJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16S2.2C13H13N.C12H12O.2C12H12S.2C11H12N2.2C11H11NS.C8H12N2S.21C2H6/c1-9-5-7-13(8-6-9)14-11(3)16-15(18-14)10(2)12(4)17-16;1-9-5-7-13(8-6-9)14-12(4)18-15-10(2)11(3)17-16(14)15;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;1-5-3-4-6(2)8-7(5)9-11-10-8;21*1-2/h2*5-8H,1-4H3;2*3-9H,1-2H3;5*3-8H,1-2H3;2*3-7H,1-2H3;3-4,7-10H,1-2H3;21*1-2H3.

What are the key properties of 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene has a molecular weight of 2982.96 g/mol, XLogP of 64.76, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-1,3,3a,7a-tetrahydro-2,1,3-benzothiadiazole;ethane;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;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 157366761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).