ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole

C75H139N13O3S5 — CID 157238350

About ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole

ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole (PubChem CID 157238350) has the molecular formula C75H139N13O3S5 and a molecular weight of 1431.36 g/mol. Its IUPAC name is ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 157238350
• Molecular Formula: C75H139N13O3S5
• Molecular Weight: 1431.36 g/mol
• Exact Mass: 1429.97
• IUPAC Name: ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1=CN=CC1.CC1=NC=CC1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cscn1.Cn1ccnc1
• InChI: InChI=1S/3C5H7N.C4H6N2.3C4H5NO.5C4H5NS.12C2H6/c1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;12*1-2/h2*3-4H,2H2,1H3;2,4H,3H2,1H3;2-4H,1H3;8*2-3H,1H3;12*1-2H3
• InChIKey: AUXITPFNVBTXON-UHFFFAOYSA-N
• XLogP: 27.04
• TPSA: 197.44 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1431.36
LogP ≤ 5	27.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The IUPAC name of ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole (CID 157238350) is ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

What is the SMILES notation for ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The canonical SMILES for ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1=CN=CC1.CC1=NC=CC1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cscn1.Cn1ccnc1.

What is the InChIKey of ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The InChIKey is AUXITPFNVBTXON-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7N.C4H6N2.3C4H5NO.5C4H5NS.12C2H6/c1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;12*1-2/h2*3-4H,2H2,1H3;2,4H,3H2,1H3;2-4H,1H3;8*2-3H,1H3;12*1-2H3.

What are the key properties of ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1431.36 g/mol, XLogP of 27.04, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 157238350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).