4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane

C91H156N6S2 — CID 157276673

About 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane

4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane (PubChem CID 157276673) has the molecular formula C91H156N6S2 and a molecular weight of 1398.42 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane.

Molecular Properties

• Compound Name: 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane
• PubChem CID: 157276673
• Molecular Formula: C91H156N6S2
• Molecular Weight: 1398.42 g/mol
• Exact Mass: 1397.18
• IUPAC Name: 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane
• SMILES: CC.CC.CC.CC.CC.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nsc(C)c1C(C)(C)C
• InChI: InChI=1S/3C11H16.C10H18N2.2C10H15N.2C9H15NS.5C2H6/c3*1-9-7-5-6-8-10(9)11(2,3)4;1-7-9(10(3,4)5)8(2)12(6)11-7;1-8-7-11-6-5-9(8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;5*1-2/h3*5-8H,1-4H3;1-6H3;2*5-7H,1-4H3;2*1-5H3;5*1-2H3
• InChIKey: AZEMSHRJUNWUSP-UHFFFAOYSA-N
• XLogP: 28.83
• TPSA: 69.38 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1398.42
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane?

The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane (CID 157276673) is 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane.

What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane?

The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane is CC.CC.CC.CC.CC.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nsc(C)c1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane?

The InChIKey is AZEMSHRJUNWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H16.C10H18N2.2C10H15N.2C9H15NS.5C2H6/c3*1-9-7-5-6-8-10(9)11(2,3)4;1-7-9(10(3,4)5)8(2)12(6)11-7;1-8-7-11-6-5-9(8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;5*1-2/h3*5-8H,1-4H3;1-6H3;2*5-7H,1-4H3;2*1-5H3;5*1-2H3.

What are the key properties of 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane?

4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane has a molecular weight of 1398.42 g/mol, XLogP of 28.83, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-2-methylbenzene);3-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;4-tert-butyl-1,3,5-trimethylpyrazole;ethane is sourced from PubChem (CID 157276673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).