2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

C68H98N6O3S5 — CID 160899761

About 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (PubChem CID 160899761) has the molecular formula C68H98N6O3S5 and a molecular weight of 1207.91 g/mol. Its IUPAC name is 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
• PubChem CID: 160899761
• Molecular Formula: C68H98N6O3S5
• Molecular Weight: 1207.91 g/mol
• Exact Mass: 1206.63
• IUPAC Name: 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
• SMILES: CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1
• InChI: InChI=1S/2C8H11N.C7H10O.3C7H10S.2C6H9NO.2C6H9NS/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*3-7H,1-2H3;4*3-6H,1-2H3;4*3-5H,1-2H3
• InChIKey: SPIPEESSHZMDLV-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 116.76 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.91
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

The IUPAC name of 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (CID 160899761) is 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.

What is the SMILES notation for 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

The canonical SMILES for 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.

What is the InChIKey of 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

The InChIKey is SPIPEESSHZMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.C7H10O.3C7H10S.2C6H9NO.2C6H9NS/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*3-7H,1-2H3;4*3-6H,1-2H3;4*3-5H,1-2H3.

What are the key properties of 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?

2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene has a molecular weight of 1207.91 g/mol, XLogP of 23.56, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is sourced from PubChem (CID 160899761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).