ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

C77H133N11O2S3 — CID 158521689

IUPACethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C7H8.3C6H7N.C5H6N2.C5H6S.C4H6N2.2C4H5NO.2C4H5NS.11C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;11*1-2H3
InChIKeyHMHHEHJXZYGOTK-UHFFFAOYSA-N
MW1341.19 g/mol
LogP25.88
Rot. Bonds

About ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (PubChem CID 158521689) has the molecular formula C77H133N11O2S3 and a molecular weight of 1341.19 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.

Molecular Properties

Compound Nameethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
PubChem CID158521689
Molecular FormulaC77H133N11O2S3
Molecular Weight1341.19 g/mol
Exact Mass1339.98
IUPAC Nameethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C7H8.3C6H7N.C5H6N2.C5H6S.C4H6N2.2C4H5NO.2C4H5NS.11C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;11*1-2H3
InChIKeyHMHHEHJXZYGOTK-UHFFFAOYSA-N
XLogP25.88
TPSA170.97 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.19
LogP ≤ 525.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-5-ethyl-1,3,4-thiadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrimidin-4-amine;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-1,3-thiazol-2-amine;2,5-dimethyl-1,3,4-oxadiazole;2,4-dimethyl-1,3-oxazole;4-ethyl-2-methyl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-6-(trifluoromethyl)pyridine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;5-methyl-1,3,4-thiadiazol-2-amine;(2-methyl-1,3-thiazol-5-yl)methanamine;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine;2,4,5-trimethyl-1,3-oxazole
CID 161527158
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
Ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976521
1,3-oxazole;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1,3-thiazole
CID 157049747
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(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-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
5-tert-butyl-2-propan-2-yl-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;5-ethyl-2-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
CID 157229571
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
The IUPAC name of ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (CID 158521689) is ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.
What is the SMILES notation for ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
The canonical SMILES for ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
The InChIKey is HMHHEHJXZYGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N.C5H6N2.C5H6S.C4H6N2.2C4H5NO.2C4H5NS.11C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;11*1-2H3.
What are the key properties of ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene has a molecular weight of 1341.19 g/mol, XLogP of 25.88, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is sourced from PubChem (CID 158521689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).