ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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

C71H112N16O2S4 — CID 158507825

IUPACethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccco1.Cc1ccno1.Cc1cncs1.Cc1cscn1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/3C6H7N.C5H7N.C5H6O.2C4H6N2.C4H5NO.4C4H5NS.C3H5N3.6C2H6/c2*1-6-3-2-4-7-5-6;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;6*1-2/h3*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;6*2-3H,1H3;6*1-2H3
InChIKeyHKRFLJGJODBXKI-UHFFFAOYSA-N
MW1350.05 g/mol
LogP20.38
Rot. Bonds

About ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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;bis(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 158507825) has the molecular formula C71H112N16O2S4 and a molecular weight of 1350.05 g/mol. Its IUPAC name is ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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;bis(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 CID158507825
Molecular FormulaC71H112N16O2S4
Molecular Weight1350.05 g/mol
Exact Mass1348.80
IUPAC Nameethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccco1.Cc1ccno1.Cc1cncs1.Cc1cscn1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cncn1
InChIInChI=1S/3C6H7N.C5H7N.C5H6O.2C4H6N2.C4H5NO.4C4H5NS.C3H5N3.6C2H6/c2*1-6-3-2-4-7-5-6;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;6*1-2/h3*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;6*2-3H,1H3;6*1-2H3
InChIKeyHKRFLJGJODBXKI-UHFFFAOYSA-N
XLogP20.38
TPSA200.68 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.05
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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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Launch Full Analysis

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
5-tert-butyl-2,3-dimethylfuran;3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyridine;4-tert-butyl-6-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;4,5-dimethyl-1-propan-2-ylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2-fluoropropan-2-yl)-5-methyl-1,2-oxazole;5-methyl-3-(2-methylbutan-2-yl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;5-methyl-3-(trifluoromethyl)-1,2-oxazole;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 158832470
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
1-Tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;2-tert-butyltriazole;nonakis(2,2-dimethylpropane);furan;methane;2-methylfuran;1-methylimidazole;1-methylpyrrole;pyrazine;tris(pyridine);thiophene
CID 157391084
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
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-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 158289394
Methane;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
CID 158349219
2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 158699222

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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;bis(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 158507825) is ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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;bis(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;bis(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.CC.Cc1ccccn1.Cc1cccnc1.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;bis(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 HKRFLJGJODBXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C5H7N.C5H6O.2C4H6N2.C4H5NO.4C4H5NS.C3H5N3.6C2H6/c2*1-6-3-2-4-7-5-6;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;6*1-2/h3*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;6*2-3H,1H3;6*1-2H3.
What are the key properties of ethane;2-methylfuran;5-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;bis(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;bis(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 1350.05 g/mol, XLogP of 20.38, 0 rotatable bonds, 0 hydrogen bond donors, and 22 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;bis(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 158507825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).