2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene

C65H104N10S6 — CID 159762991

About 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene

2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene (PubChem CID 159762991) has the molecular formula C65H104N10S6 and a molecular weight of 1218.02 g/mol. Its IUPAC name is 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene.

Molecular Properties

• Compound Name: 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene
• PubChem CID: 159762991
• Molecular Formula: C65H104N10S6
• Molecular Weight: 1218.02 g/mol
• Exact Mass: 1216.68
• IUPAC Name: 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccns1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1
• InChI: InChI=1S/2C8H13N.C8H12S.C7H12N2.4C7H11NS.C6H10N2S/c2*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-7-4-8-9-5/h5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4*4-5H,1-3H3;4H,1-3H3
• InChIKey: NFDAWOSALMLESR-UHFFFAOYSA-N
• XLogP: 20.59
• TPSA: 126.78 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1218.02
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene?

The IUPAC name of 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene (CID 159762991) is 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene.

What is the SMILES notation for 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene?

The canonical SMILES for 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene is CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccns1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1.

What is the InChIKey of 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene?

The InChIKey is NFDAWOSALMLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.C8H12S.C7H12N2.4C7H11NS.C6H10N2S/c2*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-7-4-8-9-5/h5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4*4-5H,1-3H3;4H,1-3H3.

What are the key properties of 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene?

2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene has a molecular weight of 1218.02 g/mol, XLogP of 20.59, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene is sourced from PubChem (CID 159762991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).