5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole

C146H170N16O4S4 — CID 158830485

About 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole

5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole (PubChem CID 158830485) has the molecular formula C146H170N16O4S4 and a molecular weight of 2341.34 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole
• PubChem CID: 158830485
• Molecular Formula: C146H170N16O4S4
• Molecular Weight: 2341.34 g/mol
• Exact Mass: 2339.25
• IUPAC Name: 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole
• SMILES: CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2nccnc2c1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.Cc1cccc2ncsc12.Cc1csc2ncsc12
• InChI: InChI=1S/4C13H15N.2C12H14N2.C12H16O2.C11H13N3.C11H14N2.C11H13NS.C11H14O2.C8H7NS.C6H5NS2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)8-6-9-10(14-7-8)13-5-4-12-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-6-3-2-4-7-8(6)10-5-9-7;1-4-2-8-6-5(4)9-3-7-6/h4*4-9H,1-3H3;2*4-8H,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,7H2,1-3H3;2-5H,1H3;2-3H,1H3
• InChIKey: IWZCQJRBNMSGGG-UHFFFAOYSA-N
• XLogP: 39.27
• TPSA: 234.68 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2341.34
LogP ≤ 5	39.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole?

The IUPAC name of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole (CID 158830485) is 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole.

What is the SMILES notation for 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole?

The canonical SMILES for 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole is CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2nccnc2c1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.Cc1cccc2ncsc12.Cc1csc2ncsc12.

What is the InChIKey of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole?

The InChIKey is IWZCQJRBNMSGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H15N.2C12H14N2.C12H16O2.C11H13N3.C11H14N2.C11H13NS.C11H14O2.C8H7NS.C6H5NS2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)8-6-9-10(14-7-8)13-5-4-12-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-6-3-2-4-7-8(6)10-5-9-7;1-4-2-8-6-5(4)9-3-7-6/h4*4-9H,1-3H3;2*4-8H,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,7H2,1-3H3;2-5H,1H3;2-3H,1H3.

What are the key properties of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole?

5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole has a molecular weight of 2341.34 g/mol, XLogP of 39.27, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrido[2,3-b]pyrazine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;7-methyl-1,3-benzothiazole;6-methylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 158830485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).