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

C106H165N9O3S8 — CID 159137371

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

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene) (PubChem CID 159137371) has the molecular formula C106H165N9O3S8 and a molecular weight of 1870.08 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene).

Molecular Properties

• Compound Name: 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene)
• PubChem CID: 159137371
• Molecular Formula: C106H165N9O3S8
• Molecular Weight: 1870.08 g/mol
• Exact Mass: 1868.08
• IUPAC Name: 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(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)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1
• InChI: InChI=1S/2C8H13N.2C8H12O.5C8H12S.C7H12N2.C7H11NO.2C7H11NS.C6H10N2S/c2*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;4*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5/h5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;7*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3
• InChIKey: KHQXXZGKYQHQJU-UHFFFAOYSA-N
• XLogP: 35.02
• TPSA: 153.31 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1870.08
LogP ≤ 5	35.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene) (CID 159137371) is 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene).

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

The canonical SMILES for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(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)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1.

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

The InChIKey is KHQXXZGKYQHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.2C8H12O.5C8H12S.C7H12N2.C7H11NO.2C7H11NS.C6H10N2S/c2*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;4*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5/h5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;7*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3.

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

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene) has a molecular weight of 1870.08 g/mol, XLogP of 35.02, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene) is sourced from PubChem (CID 159137371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).