2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole

C62H103N15S4 — CID 158720561

About 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 158720561) has the molecular formula C62H103N15S4 and a molecular weight of 1186.88 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 158720561
• Molecular Formula: C62H103N15S4
• Molecular Weight: 1186.88 g/mol
• Exact Mass: 1185.74
• IUPAC Name: 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)C1=CCN=N1.CC(C)(C)c1ccsn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1
• InChI: InChI=1S/4C7H12N2.4C7H11NS.C6H11N3/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5/h3*4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;4*4-5H,1-3H3;4H,1-3H3,(H,7,8,9)
• InChIKey: IJWBRFYCYBHJTD-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 203.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.88
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole?

The IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole (CID 158720561) is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole.

What is the SMILES notation for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole?

The canonical SMILES for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole is CC(C)(C)C1=CCN=N1.CC(C)(C)c1ccsn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.

What is the InChIKey of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is IJWBRFYCYBHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H12N2.4C7H11NS.C6H11N3/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5/h3*4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;4*4-5H,1-3H3;4H,1-3H3,(H,7,8,9).

What are the key properties of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole?

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole has a molecular weight of 1186.88 g/mol, XLogP of 18.37, 0 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 158720561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).