ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole

C59H110N10O3S2 — CID 158897466

IUPACethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1CCOC1.Cc1cccnc1.Cc1ccno1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnsc1
InChIInChI=1S/C6H7N.C5H6N2.C5H7N.C5H10O.C4H6N2.2C4H5NO.2C4H5NS.9C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;9*1-2/h2-5H,1H3;2-4H,1H3;3-4H,2H2,1H3;5H,2-4H2,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;9*1-2H3
InChIKeyJEZYMOVAKAYFIM-UHFFFAOYSA-N
MW1071.73 g/mol
LogP19.41
Rot. Bonds

About ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole

ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole (PubChem CID 158897466) has the molecular formula C59H110N10O3S2 and a molecular weight of 1071.73 g/mol. Its IUPAC name is ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
PubChem CID158897466
Molecular FormulaC59H110N10O3S2
Molecular Weight1071.73 g/mol
Exact Mass1070.82
IUPAC Nameethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1CCOC1.Cc1cccnc1.Cc1ccno1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnsc1
InChIInChI=1S/C6H7N.C5H6N2.C5H7N.C5H10O.C4H6N2.2C4H5NO.2C4H5NS.9C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;9*1-2/h2-5H,1H3;2-4H,1H3;3-4H,2H2,1H3;5H,2-4H2,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;9*1-2H3
InChIKeyJEZYMOVAKAYFIM-UHFFFAOYSA-N
XLogP19.41
TPSA166.78 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.73
LogP ≤ 519.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole with MolForge

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Related Compounds

ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-4H-imidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158233613
bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene
CID 162090409
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;3-methylpyridine;hydroiodide
CID 143140941
ethane;5-fluoro-2,4-dimethylpyrimidine;3-methyloxolane;2-methylpyrimidine
CID 144862580
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane
CID 172942368
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
ethane;4-methyloxane;3-methyloxolane
CID 170734292
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
benzene;5-methyl-3H-pyrrole
CID 174932939
ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
CID 158414729

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole (CID 158897466) is ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1CCOC1.Cc1cccnc1.Cc1ccno1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnsc1.
What is the InChIKey of ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The InChIKey is JEZYMOVAKAYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6N2.C5H7N.C5H10O.C4H6N2.2C4H5NO.2C4H5NS.9C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;9*1-2/h2-5H,1H3;2-4H,1H3;3-4H,2H2,1H3;5H,2-4H2,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;9*1-2H3.
What are the key properties of ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1071.73 g/mol, XLogP of 19.41, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 158897466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).