ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine

C79H142N10O5S3 — CID 158108617

IUPACethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cnncn1.Cc1cocn1.Cc1ncco1.Cc1nccs1.Cn1cccc1
InChIInChI=1S/3C5H7N.2C5H6O.2C5H6S.C4H5N3.3C4H5NO.C4H5NS.12C2H6/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-7-3-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;12*1-2/h2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;4*2-4H,1H3;2-3H,1H3;4*2-3H,1H3;12*1-2H3
InChIKeyFQDKQTQMGSUSCR-UHFFFAOYSA-N
MW1408.27 g/mol
LogP27.86
Rot. Bonds

About ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine

ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine (PubChem CID 158108617) has the molecular formula C79H142N10O5S3 and a molecular weight of 1408.27 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine
PubChem CID158108617
Molecular FormulaC79H142N10O5S3
Molecular Weight1408.27 g/mol
Exact Mass1407.03
IUPAC Nameethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cnncn1.Cc1cocn1.Cc1ncco1.Cc1nccs1.Cn1cccc1
InChIInChI=1S/3C5H7N.2C5H6O.2C5H6S.C4H5N3.3C4H5NO.C4H5NS.12C2H6/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-7-3-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;12*1-2/h2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;4*2-4H,1H3;2-3H,1H3;4*2-3H,1H3;12*1-2H3
InChIKeyFQDKQTQMGSUSCR-UHFFFAOYSA-N
XLogP27.86
TPSA192.44 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001408.27
LogP ≤ 527.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

2-hydroxy-4-methylidene-3-propan-2-ylcyclobut-2-en-1-one;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole;1,1,1-trifluoro-3-methylbutan-2-ol
CID 161555264
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
CID 141015432
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole
CID 141050954
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050974
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;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;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
tert-butylcyclopentane;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;4-tert-butyl-4H-imidazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-oxazolidine;3-tert-butyl-1,3-oxazolidine;4-tert-butyl-1,3-oxazolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;5-tert-butyl-5H-tetrazole;2-tert-butylthiolane;3-tert-butylthiolane;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;3-tert-butyl-3H-1,2,4-triazole;4-tert-butyl-4H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157108860
2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157121352
3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
CID 157157462

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine (CID 158108617) is ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cnncn1.Cc1cocn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine?
The InChIKey is FQDKQTQMGSUSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7N.2C5H6O.2C5H6S.C4H5N3.3C4H5NO.C4H5NS.12C2H6/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-7-3-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;12*1-2/h2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;4*2-4H,1H3;2-3H,1H3;4*2-3H,1H3;12*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine?
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine has a molecular weight of 1408.27 g/mol, XLogP of 27.86, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;5-methyl-1,2,4-triazine is sourced from PubChem (CID 158108617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).