bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

C81H120N14OS4 — CID 159861655

About bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (PubChem CID 159861655) has the molecular formula C81H120N14OS4 and a molecular weight of 1434.22 g/mol. Its IUPAC name is bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
• PubChem CID: 159861655
• Molecular Formula: C81H120N14OS4
• Molecular Weight: 1434.22 g/mol
• Exact Mass: 1432.87
• IUPAC Name: bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
• SMILES: CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1
• InChI: InChI=1S/4C8H11N.3C7H10S.3C6H10N2.C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-4(2)5-7-6-3-8-5/h4*3-7H,1-2H3;6*3-6H,1-2H3;2*3-4H,1-2H3
• InChIKey: NRFJZGUIPJVTPY-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 169.72 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.22
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

The IUPAC name of bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (CID 159861655) is bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.

What is the SMILES notation for bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

The canonical SMILES for bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1.

What is the InChIKey of bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

The InChIKey is NRFJZGUIPJVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H11N.3C7H10S.3C6H10N2.C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-4(2)5-7-6-3-8-5/h4*3-7H,1-2H3;6*3-6H,1-2H3;2*3-4H,1-2H3.

What are the key properties of bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene has a molecular weight of 1434.22 g/mol, XLogP of 24.68, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is sourced from PubChem (CID 159861655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).