5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline

C215H290F2N26O8S6 — CID 158505680

About 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline

5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline (PubChem CID 158505680) has the molecular formula C215H290F2N26O8S6 and a molecular weight of 3597.26 g/mol. Its IUPAC name is 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline.

Molecular Properties

• Compound Name: 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline
• PubChem CID: 158505680
• Molecular Formula: C215H290F2N26O8S6
• Molecular Weight: 3597.26 g/mol
• Exact Mass: 3594.14
• IUPAC Name: 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2scnc2n1.CC(C)(C)c1cnc2scnc2c1.CC1(C)Oc2ccccc2O1.Cc1nc2cc(C(C)(C)C)ccc2s1.Cc1nc2cc(C(C)(C)C)cnc2s1.Cc1nc2nc(C(C)(C)C)ccc2s1.Fc1cccc2nccnc12.Fc1ccnc2ncccc12.c1ccc2c(c1)CCO2.c1ccc2ncccc2c1.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2cccnc2c1.c1cnc2ncccc2c1
• InChI: InChI=1S/C12H14N2.C12H15NS.C12H16O2.2C11H14N2S.C10H12N2O.3C10H12N2S.C9H7N.C9H10O2.2C8H5FN2.2C8H6N2.C8H8O.2C7H7NO.9C5H12/c1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-7-13-9-5-8(11(2,3)4)6-12-10(9)14-7;1-7-12-10-8(14-7)5-6-9(13-10)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-5-4-7-9(12-8)11-6-13-7;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-2-6-9-8(4-1)5-3-7-10-9;1-9(2)10-7-5-3-4-6-8(7)11-9;9-7-3-5-11-8-6(7)2-1-4-10-8;9-6-2-1-3-7-8(6)11-5-4-10-7;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;9*1-5(2,3)4/h4-8H,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;2*5-6H,1-4H3;4*4-6H,1-3H3;1-7H;3-6H,1-2H3;2*1-5H;2*1-6H;1-4H,5-6H2;2*1-2,4H,3,5H2;9*1-4H3
• InChIKey: HKKZDWHOZSBTQN-UHFFFAOYSA-N
• XLogP: 61.02
• TPSA: 412.89 Ų
• H-Bond Acceptors: 40
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3597.26
LogP ≤ 5	61.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline?

The IUPAC name of 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline (CID 158505680) is 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline.

What is the SMILES notation for 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline?

The canonical SMILES for 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2scnc2n1.CC(C)(C)c1cnc2scnc2c1.CC1(C)Oc2ccccc2O1.Cc1nc2cc(C(C)(C)C)ccc2s1.Cc1nc2cc(C(C)(C)C)cnc2s1.Cc1nc2nc(C(C)(C)C)ccc2s1.Fc1cccc2nccnc12.Fc1ccnc2ncccc12.c1ccc2c(c1)CCO2.c1ccc2ncccc2c1.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2cccnc2c1.c1cnc2ncccc2c1.

What is the InChIKey of 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline?

The InChIKey is HKKZDWHOZSBTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C12H15NS.C12H16O2.2C11H14N2S.C10H12N2O.3C10H12N2S.C9H7N.C9H10O2.2C8H5FN2.2C8H6N2.C8H8O.2C7H7NO.9C5H12/c1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-7-13-9-5-8(11(2,3)4)6-12-10(9)14-7;1-7-12-10-8(14-7)5-6-9(13-10)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-5-4-7-9(12-8)11-6-13-7;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-2-6-9-8(4-1)5-3-7-10-9;1-9(2)10-7-5-3-4-6-8(7)11-9;9-7-3-5-11-8-6(7)2-1-4-10-8;9-6-2-1-3-7-8(6)11-5-4-10-7;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;9*1-5(2,3)4/h4-8H,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;2*5-6H,1-4H3;4*4-6H,1-3H3;1-7H;3-6H,1-2H3;2*1-5H;2*1-6H;1-4H,5-6H2;2*1-2,4H,3,5H2;9*1-4H3.

What are the key properties of 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline?

5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline has a molecular weight of 3597.26 g/mol, XLogP of 61.02, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,3-dihydro-1-benzofuran;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,2-dimethyl-1,3-benzodioxole;nonakis(2,2-dimethylpropane);4-fluoro-1,8-naphthyridine;5-fluoroquinoxaline;1,5-naphthyridine;1,8-naphthyridine;quinoline is sourced from PubChem (CID 158505680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).