ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole

C75H144N12O4S2 — CID 158340432

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

ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole (PubChem CID 158340432) has the molecular formula C75H144N12O4S2 and a molecular weight of 1342.19 g/mol. Its IUPAC name is ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole.

Molecular Properties

• Compound Name: ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole
• PubChem CID: 158340432
• Molecular Formula: C75H144N12O4S2
• Molecular Weight: 1342.19 g/mol
• Exact Mass: 1341.09
• IUPAC Name: ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnoc1.CC(C)c1nccn1C.CC(C)c1ncco1
• InChI: InChI=1S/3C7H12N2.4C6H9NO.2C6H9NS.9C2H6/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;9*1-2/h3*4-6H,1-3H3;6*3-5H,1-2H3;9*1-2H3
• InChIKey: GRCCPYQMTSYWLF-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 183.36 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.19
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole (CID 158340432) is ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole.

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

The canonical SMILES for ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnoc1.CC(C)c1nccn1C.CC(C)c1ncco1.

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

The InChIKey is GRCCPYQMTSYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.4C6H9NO.2C6H9NS.9C2H6/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;9*1-2/h3*4-6H,1-3H3;6*3-5H,1-2H3;9*1-2H3.

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

ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole has a molecular weight of 1342.19 g/mol, XLogP of 25.59, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;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;5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 158340432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).