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

C80H153N13O3S4 — CID 157243339

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

ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 157243339) has the molecular formula C80H153N13O3S4 and a molecular weight of 1473.46 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 157243339
• Molecular Formula: C80H153N13O3S4
• Molecular Weight: 1473.46 g/mol
• Exact Mass: 1472.11
• IUPAC Name: ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccns1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnsc1.CC(C)c1ncco1
• InChI: InChI=1S/3C6H10N2.3C6H9NO.4C6H9NS.10C2H6/c1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;10*1-2/h3*3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;10*1-2H3
• InChIKey: AVLSINZASFLYHG-UHFFFAOYSA-N
• XLogP: 29.32
• TPSA: 215.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.46
LogP ≤ 5	29.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 157243339) is ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

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

The canonical SMILES for ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccns1.CC(C)c1ccsn1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnsc1.CC(C)c1ncco1.

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

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

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

ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1473.46 g/mol, XLogP of 29.32, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,3-oxazole);4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157243339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).