bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

C196H238N30O8S5 — CID 157452429

About bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157452429) has the molecular formula C196H238N30O8S5 and a molecular weight of 3302.60 g/mol. Its IUPAC name is bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 157452429
• Molecular Formula: C196H238N30O8S5
• Molecular Weight: 3302.60 g/mol
• Exact Mass: 3299.77
• IUPAC Name: bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: CC(C)(C)C1=Nc2cc3c(cc2C1)OCO3.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1=Nc2ncccc2C1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2o1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2o1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1ncc2ccccn12.CC(C)(C)c1nnc2ccccn12.CC(C)(C)n1cnc2ccccc2c1=O
• InChI: InChI=1S/C13H15NO2.C12H14N2O.2C12H15N.2C11H14N2.3C11H13NO.2C11H13NS.2C10H13N3.2C10H12N2O.3C10H12N2S/c1-13(2,3)12-5-8-4-10-11(16-7-15-10)6-9(8)14-12;1-12(2,3)14-8-13-10-7-5-4-6-9(10)11(14)15;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-9-6-4-5-7-13(9)10;5*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-11-8-6-4-5-7-13(8)9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4,6H,5,7H2,1-3H3;4-8H,1-3H3;2*4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;7*4-7H,1-3H3;5*4-6H,1-3H3
• InChIKey: BSYMTPOQNCTEAF-UHFFFAOYSA-N
• XLogP: 51.98
• TPSA: 452.41 Ų
• H-Bond Acceptors: 43
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3302.60
LogP ≤ 5	51.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine (CID 157452429) is bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)C1=Nc2cc3c(cc2C1)OCO3.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1=Nc2ncccc2C1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2o1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2o1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1ncc2ccccn12.CC(C)(C)c1nnc2ccccn12.CC(C)(C)n1cnc2ccccc2c1=O.

What is the InChIKey of bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is BSYMTPOQNCTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C12H14N2O.2C12H15N.2C11H14N2.3C11H13NO.2C11H13NS.2C10H13N3.2C10H12N2O.3C10H12N2S/c1-13(2,3)12-5-8-4-10-11(16-7-15-10)6-9(8)14-12;1-12(2,3)14-8-13-10-7-5-4-6-9(10)11(14)15;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-9-6-4-5-7-13(9)10;5*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-11-8-6-4-5-7-13(8)9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4,6H,5,7H2,1-3H3;4-8H,1-3H3;2*4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;7*4-7H,1-3H3;5*4-6H,1-3H3.

What are the key properties of bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?

bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 3302.60 g/mol, XLogP of 51.98, 0 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157452429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).