1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane

C302H511N25O7S8 — CID 157304620

About 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane

1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane (PubChem CID 157304620) has the molecular formula C302H511N25O7S8 and a molecular weight of 4861.11 g/mol. Its IUPAC name is 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane.

Molecular Properties

• Compound Name: 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane
• PubChem CID: 157304620
• Molecular Formula: C302H511N25O7S8
• Molecular Weight: 4861.11 g/mol
• Exact Mass: 4856.82
• IUPAC Name: 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane
• SMILES: C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CN1CCCC1.CN1CCc2ccccc21.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1nn(C)c2ccccc12.Cc1nsc2ccccc12.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1
• InChI: InChI=1S/C12H15N.2C11H14N2.C11H15NO.2C10H11NO.2C10H11NS.2C9H10N2.C9H11N.2C9H9N.2C8H7NS.C8H8O2S.C8H6O.C8H6S.C7H7N3.C6H4N2S.C5H11N.C4H8O.C4H8S.15C4H10.23C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-8-5-3-4-6-9(8)11(2)10-7;3*1-10-7-6-8-4-2-3-5-9(8)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;2*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;15*1-4(2)3;23*1-2/h4-9H,1-3H3;2*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,6-7H2,1H3;2*2-7H,1H3;2*2-5H,1H3;1-4H,5-6H2;2*1-6H;2-5H,1H3;1-4H;2-5H2,1H3;2*1-4H2;15*4H,1-3H3;23*1-2H3
• InChIKey: BCHRRAYHXPNUKZ-UHFFFAOYSA-N
• XLogP: 98.61
• TPSA: 329.48 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 8
• Heavy Atoms: 342
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4861.11
LogP ≤ 5	98.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane?

The IUPAC name of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane (CID 157304620) is 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane.

What is the SMILES notation for 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane?

The canonical SMILES for 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane is C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1nc2ccccc2n1C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CN1CCCC1.CN1CCc2ccccc21.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1nn(C)c2ccccc12.Cc1nsc2ccccc12.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.

What is the InChIKey of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane?

The InChIKey is BCHRRAYHXPNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.2C11H14N2.C11H15NO.2C10H11NO.2C10H11NS.2C9H10N2.C9H11N.2C9H9N.2C8H7NS.C8H8O2S.C8H6O.C8H6S.C7H7N3.C6H4N2S.C5H11N.C4H8O.C4H8S.15C4H10.23C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-8-5-3-4-6-9(8)11(2)10-7;3*1-10-7-6-8-4-2-3-5-9(8)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;2*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;15*1-4(2)3;23*1-2/h4-9H,1-3H3;2*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,6-7H2,1H3;2*2-7H,1H3;2*2-5H,1H3;1-4H,5-6H2;2*1-6H;2-5H,1H3;1-4H;2-5H2,1H3;2*1-4H2;15*4H,1-3H3;23*1-2H3.

What are the key properties of 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane?

1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane has a molecular weight of 4861.11 g/mol, XLogP of 98.61, 8 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane is sourced from PubChem (CID 157304620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).