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

C100H160N8O2S9 — CID 158435848

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

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane (PubChem CID 158435848) has the molecular formula C100H160N8O2S9 and a molecular weight of 1795.04 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane.

Molecular Properties

• Compound Name: 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane
• PubChem CID: 158435848
• Molecular Formula: C100H160N8O2S9
• Molecular Weight: 1795.04 g/mol
• Exact Mass: 1793.02
• IUPAC Name: 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane
• SMILES: C.C.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)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1
• InChI: InChI=1S/C8H13N.2C8H12O.5C8H12S.C7H12N2.3C7H11NS.C6H10N2S.2CH4/c1-8(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;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;;/h4-5H,6H2,1-3H3;7*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;2*1H4
• InChIKey: HCFDFOIRZDUIRW-UHFFFAOYSA-N
• XLogP: 34.37
• TPSA: 127.81 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.04
LogP ≤ 5	34.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane (CID 158435848) is 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane.

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

The canonical SMILES for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane is C.C.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)c1cscn1.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;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane?

The InChIKey is HCFDFOIRZDUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C8H12O.5C8H12S.C7H12N2.3C7H11NS.C6H10N2S.2CH4/c1-8(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;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;;/h4-5H,6H2,1-3H3;7*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;2*1H4.

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

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane has a molecular weight of 1795.04 g/mol, XLogP of 34.37, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane is sourced from PubChem (CID 158435848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).