ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

C63H99N15O2S4 — CID 158933164

IUPACethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccno1.Cc1cncs1.Cc1cscn1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/2C6H7N.C5H7N.C5H6O.2C4H6N2.C4H5NO.4C4H5NS.C3H5N3.5C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;5*1-2/h2*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;6*2-3H,1H3;5*1-2H3
InChIKeyJJHYKJXJPJNJOD-UHFFFAOYSA-N
MW1226.86 g/mol
LogP17.97
Rot. Bonds

About ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (PubChem CID 158933164) has the molecular formula C63H99N15O2S4 and a molecular weight of 1226.86 g/mol. Its IUPAC name is ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Nameethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
PubChem CID158933164
Molecular FormulaC63H99N15O2S4
Molecular Weight1226.86 g/mol
Exact Mass1225.70
IUPAC Nameethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccno1.Cc1cncs1.Cc1cscn1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/2C6H7N.C5H7N.C5H6O.2C4H6N2.C4H5NO.4C4H5NS.C3H5N3.5C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;5*1-2/h2*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;6*2-3H,1H3;5*1-2H3
InChIKeyJJHYKJXJPJNJOD-UHFFFAOYSA-N
XLogP17.97
TPSA187.79 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.86
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

3-Chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
CID 158002845
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-ylpyrazine);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157292200
2,4-Dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
CID 157346164
3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole
CID 157492043
ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methylmorpholine;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;3-methylthiolane;2-methylthiophene;3-methylthiophene
CID 157538034
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652
2,4-Dimethylfuran;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethylthiophene;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
CID 157846618
Ethane;methane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;toluene
CID 157900253
2,3-Dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole
CID 158068743

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?
The IUPAC name of ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (CID 158933164) is ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?
The canonical SMILES for ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccno1.Cc1cncs1.Cc1cscn1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cncn1.
What is the InChIKey of ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?
The InChIKey is JJHYKJXJPJNJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H7N.C5H6O.2C4H6N2.C4H5NO.4C4H5NS.C3H5N3.5C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;5*1-2/h2*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;6*2-3H,1H3;5*1-2H3.
What are the key properties of ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?
ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole has a molecular weight of 1226.86 g/mol, XLogP of 17.97, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3-thiazole;bis(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158933164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).