ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C81H155N13O3S3 — CID 158711383

About ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158711383) has the molecular formula C81H155N13O3S3 and a molecular weight of 1455.42 g/mol. Its IUPAC name is ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 158711383
• Molecular Formula: C81H155N13O3S3
• Molecular Weight: 1455.42 g/mol
• Exact Mass: 1454.15
• IUPAC Name: ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCN=C1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1
• InChI: InChI=1S/C7H11N.3C6H10N2.3C6H9NO.3C6H9NS.10C2H6/c1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-4-8-6;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)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;10*1-2/h3,5-6H,4H2,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;10*1-2H3
• InChIKey: IITOPDPPZJWQKD-UHFFFAOYSA-N
• XLogP: 28.71
• TPSA: 215.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.42
LogP ≤ 5	28.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158711383) is ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

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

The canonical SMILES for ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCN=C1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.

What is the InChIKey of ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The InChIKey is IITOPDPPZJWQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.3C6H10N2.3C6H9NO.3C6H9NS.10C2H6/c1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-4-8-6;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)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;10*1-2/h3,5-6H,4H2,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;10*1-2H3.

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

ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1455.42 g/mol, XLogP of 28.71, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158711383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).