ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole

C84H162N14O3S3 — CID 158546080

About ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole

ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole (PubChem CID 158546080) has the molecular formula C84H162N14O3S3 and a molecular weight of 1512.52 g/mol. Its IUPAC name is ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole.

Molecular Properties

• Compound Name: ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
• PubChem CID: 158546080
• Molecular Formula: C84H162N14O3S3
• Molecular Weight: 1512.52 g/mol
• Exact Mass: 1511.21
• IUPAC Name: ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn(C)n1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C
• InChI: InChI=1S/4C7H12N2.3C6H9NO.3C6H9NS.10C2H6/c2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;10*1-2/h4*4-6H,1-3H3;6*3-5H,1-2H3;10*1-2H3
• InChIKey: HPCZCKNCUHHDEN-UHFFFAOYSA-N
• XLogP: 28.63
• TPSA: 188.04 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.52
LogP ≤ 5	28.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?

The IUPAC name of ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole (CID 158546080) is ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole.

What is the SMILES notation for ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?

The canonical SMILES for ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn(C)n1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C.

What is the InChIKey of ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?

The InChIKey is HPCZCKNCUHHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H12N2.3C6H9NO.3C6H9NS.10C2H6/c2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;10*1-2/h4*4-6H,1-3H3;6*3-5H,1-2H3;10*1-2H3.

What are the key properties of ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?

ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole has a molecular weight of 1512.52 g/mol, XLogP of 28.63, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 158546080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).