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

C73H118N16O3S3 — CID 159261866

IUPACethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cnoc1.Cc1cscn1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1
InChIInChI=1S/3C6H7N.C5H6O.C5H6S.3C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.7C2H6/c1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;7*1-2/h3*2-5H,1H3;5*2-4H,1H3;5*2-3H,1H3;7*1-2H3
InChIKeyKWPOHHZMNVBVMV-UHFFFAOYSA-N
MW1364.06 g/mol
LogP20.94
Rot. Bonds

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

ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole (PubChem CID 159261866) has the molecular formula C73H118N16O3S3 and a molecular weight of 1364.06 g/mol. Its IUPAC name is ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Nameethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
PubChem CID159261866
Molecular FormulaC73H118N16O3S3
Molecular Weight1364.06 g/mol
Exact Mass1362.87
IUPAC Nameethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cnoc1.Cc1cscn1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1
InChIInChI=1S/3C6H7N.C5H6O.C5H6S.3C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.7C2H6/c1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;7*1-2/h3*2-5H,1H3;5*2-4H,1H3;5*2-3H,1H3;7*1-2H3
InChIKeyKWPOHHZMNVBVMV-UHFFFAOYSA-N
XLogP20.94
TPSA213.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.06
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;cumene;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;methane;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole
CID 157989358
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
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2,5-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butylpyridine;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-difluoropropyl)-4-propan-2-yltriazole;2,4-dimethyl-1-propan-2-ylimidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;4-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
CID 158946007
3-Chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
CID 159208699
5-(1,2-Oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
CID 141167412
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
Bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole
CID 157201879
4-Tert-butyl-1,5-dimethyltriazole;5-tert-butyl-1,4-dimethyltriazole;2-tert-butylpyrimidine;cumene;ethane;furan;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yltetrazole;pyridine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 157206232
1,2-Dimethylpyrrole;2-methylfuran;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;toluene
CID 157222204
ethane;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157263132

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole?
The IUPAC name of ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole (CID 159261866) is ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole.
What is the SMILES notation for ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole?
The canonical SMILES for ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cnoc1.Cc1cscn1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.
What is the InChIKey of ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole?
The InChIKey is KWPOHHZMNVBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C5H6O.C5H6S.3C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.7C2H6/c1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;7*1-2/h3*2-5H,1H3;5*2-4H,1H3;5*2-3H,1H3;7*1-2H3.
What are the key properties of ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole?
ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole has a molecular weight of 1364.06 g/mol, XLogP of 20.94, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole is sourced from PubChem (CID 159261866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).