ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene

C75H139N13O4S4 — CID 158146508

IUPACethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.Cn1cccn1
InChIInChI=1S/C5H7N.C5H6O.C5H6S.3C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;12*1-2/h2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3
InChIKeyFUOTZNWEJPUDIN-UHFFFAOYSA-N
MW1415.29 g/mol
LogP26.44
Rot. Bonds

About ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene

ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 158146508) has the molecular formula C75H139N13O4S4 and a molecular weight of 1415.29 g/mol. Its IUPAC name is ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
PubChem CID158146508
Molecular FormulaC75H139N13O4S4
Molecular Weight1415.29 g/mol
Exact Mass1414.00
IUPAC Nameethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.Cn1cccn1
InChIInChI=1S/C5H7N.C5H6O.C5H6S.3C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;12*1-2/h2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3
InChIKeyFUOTZNWEJPUDIN-UHFFFAOYSA-N
XLogP26.44
TPSA220.87 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.29
LogP ≤ 526.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene with MolForge

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Related Compounds

ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157215772
carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)
CID 159112707
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
ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 161008290
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
1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 167548631
ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 161199961
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
1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene
CID 165083047
2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole
CID 162135090
ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 160689828
ethane;2-methylfuran;2-methylthiophene
CID 143639755

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?
The IUPAC name of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene (CID 158146508) is ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene.
What is the SMILES notation for ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?
The canonical SMILES for ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.Cn1cccn1.
What is the InChIKey of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?
The InChIKey is FUOTZNWEJPUDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6O.C5H6S.3C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;12*1-2/h2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3.
What are the key properties of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?
ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 1415.29 g/mol, XLogP of 26.44, 0 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 158146508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).