ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene

C87H168N8O2S4 — CID 162271396

About ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene

ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 162271396) has the molecular formula C87H168N8O2S4 and a molecular weight of 1486.62 g/mol. Its IUPAC name is ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 162271396
• Molecular Formula: C87H168N8O2S4
• Molecular Weight: 1486.62 g/mol
• Exact Mass: 1485.22
• IUPAC Name: ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)n1cccc1
• InChI: InChI=1S/C8H16.C7H11N.C7H10O.2C7H10S.2C6H10N2.C6H9NO.2C6H9NS.10C2H6.CH4/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6;10*1-2;/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;10*1-2H3;1H4
• InChIKey: OCFWAEPIRQUBIB-UHFFFAOYSA-N
• XLogP: 33.34
• TPSA: 127.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.62
LogP ≤ 5	33.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 162271396) is ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)n1cccc1.

What is the InChIKey of ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is OCFWAEPIRQUBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H11N.C7H10O.2C7H10S.2C6H10N2.C6H9NO.2C6H9NS.10C2H6.CH4/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6;10*1-2;/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;10*1-2H3;1H4.

What are the key properties of ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1486.62 g/mol, XLogP of 33.34, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 162271396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).