Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide

C₉₀H₁₆₉N₁₁O₈S₅ — CID 158285533

About Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide

Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide (PubChem CID 158285533) has the molecular formula C₉₀H₁₆₉N₁₁O₈S₅ and a molecular weight of 1693.75 g/mol. Its IUPAC name is ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide.

Molecular Properties

• Compound Name: Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide
• PubChem CID: 158285533
• Molecular Formula: C₉₀H₁₆₉N₁₁O₈S₅
• Molecular Weight: 1693.75 g/mol
• Exact Mass: 1692.18
• IUPAC Name: ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CS1(=O)=O.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1
• InChI: InChI=1S/2C7H10O2S.2C6H10N2.4C6H9NO.3C6H9NS.11C2H6/c1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-4-3-5-10(7,8)9;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;11*1-2H3
• InChIKey: GKSREFUMKXHLGM-UHFFFAOYSA-N
• XLogP: 31.28
• TPSA: 268.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.75
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?

The IUPAC name of Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide (CID 158285533) is ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide.

What is the SMILES notation for Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?

The canonical SMILES for Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CS1(=O)=O.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1.

What is the InChIKey of Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?

The InChIKey is GKSREFUMKXHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O2S.2C6H10N2.4C6H9NO.3C6H9NS.11C2H6/c1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-4-3-5-10(7,8)9;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;11*1-2H3.

What are the key properties of Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?

Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide has a molecular weight of 1693.75 g/mol, XLogP of 31.28, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide is sourced from PubChem (CID 158285533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158285533 — identifiers, structure, computed properties (public domain)

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