bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole

C54H84N20O2S — CID 158998394

IUPACbis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole
SMILESCc1cccn1C.Cc1cccn1C.Cc1ccnn1C.Cc1ccnn1C.Cc1cnc(C)s1.Cc1cncn1C.Cc1cncn1C.Cc1cnoc1C.Cc1conc1C.Cc1ncnn1C.Cc1nnnn1C
InChIInChI=1S/2C6H9N.4C5H8N2.2C5H7NO.C5H7NS.C4H7N3.C3H6N4/c2*1-6-4-3-5-7(6)2;2*1-5-3-6-4-7(5)2;2*1-5-3-4-6-7(5)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-6-5(2)7-4;1-4-5-3-6-7(4)2;1-3-4-5-6-7(3)2/h2*3-5H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;1-2H3
InChIKeyJRANJUATZLOEPY-UHFFFAOYSA-N
MW1077.47 g/mol
LogP9.57
Rot. Bonds

About bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole

bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole (PubChem CID 158998394) has the molecular formula C54H84N20O2S and a molecular weight of 1077.47 g/mol. Its IUPAC name is bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole
PubChem CID158998394
Molecular FormulaC54H84N20O2S
Molecular Weight1077.47 g/mol
Exact Mass1076.68
IUPAC Namebis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole
SMILESCc1cccn1C.Cc1cccn1C.Cc1ccnn1C.Cc1ccnn1C.Cc1cnc(C)s1.Cc1cncn1C.Cc1cncn1C.Cc1cnoc1C.Cc1conc1C.Cc1ncnn1C.Cc1nnnn1C
InChIInChI=1S/2C6H9N.4C5H8N2.2C5H7NO.C5H7NS.C4H7N3.C3H6N4/c2*1-6-4-3-5-7(6)2;2*1-5-3-6-4-7(5)2;2*1-5-3-4-6-7(5)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-6-5(2)7-4;1-4-5-3-6-7(4)2;1-3-4-5-6-7(3)2/h2*3-5H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;1-2H3
InChIKeyJRANJUATZLOEPY-UHFFFAOYSA-N
XLogP9.57
TPSA220.40 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.47
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole with MolForge

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Related Compounds

Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
CID 157454282
1,4-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyltriazole;2,4-dimethyltriazole
CID 157552874
1,2-Dimethylpyridin-1-ium;2,3-dimethyl-1,3,4-thiadiazol-3-ium;4,5-dimethyl-1,2,4-thiadiazol-4-ium;2,3-dimethyl-1,3-thiazol-3-ium;methane;1,2,3,4-tetramethylimidazol-1-ium;1,3,6-trimethyl-3,6-dihydropyridazin-1-ium;1,2,3-trimethylindazol-1-ium;2,3,5-trimethyl-1,2-oxazol-2-ium;3,4,5-trimethyl-1,2,4-thiadiazol-4-ium
CID 157869544
5-Tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158948382
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene
CID 159015285
1,2-Dimethylpyridin-1-ium;2,3-dimethyl-1,3,4-thiadiazol-3-ium;4,5-dimethyl-1,2,4-thiadiazol-4-ium;2,3-dimethyl-1,3-thiazol-3-ium;1,2,3,4-tetramethylimidazol-1-ium;1,3,6-trimethyl-3,6-dihydropyridazin-1-ium;2,3,5-trimethyl-1,2-oxazol-2-ium;3,4,5-trimethyl-1,2,4-thiadiazol-4-ium
CID 159031751
2,4-Dimethylfuran;1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;bis(1,3-dimethylpyrrole);2,4-dimethylthiophene;ethane;methane;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-oxazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole
CID 159045832
1,2-dimethylimidazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;1-methylcyclopenta-1,3-diene;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 159633494
5-Tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 159673242
4-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(1-propan-2-yl-1,2,4-triazole)
CID 159997696
2,3-Dimethylfuran;2,3-dimethylpyridine;2,3-dimethylthiophene;ethane;bis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(3,4,5-trimethyl-1,2-oxazole);1,2,3-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole
CID 160285024

Frequently Asked Questions

What is the IUPAC name of bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole?
The IUPAC name of bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole (CID 158998394) is bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole is Cc1cccn1C.Cc1cccn1C.Cc1ccnn1C.Cc1ccnn1C.Cc1cnc(C)s1.Cc1cncn1C.Cc1cncn1C.Cc1cnoc1C.Cc1conc1C.Cc1ncnn1C.Cc1nnnn1C.
What is the InChIKey of bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole?
The InChIKey is JRANJUATZLOEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.4C5H8N2.2C5H7NO.C5H7NS.C4H7N3.C3H6N4/c2*1-6-4-3-5-7(6)2;2*1-5-3-6-4-7(5)2;2*1-5-3-4-6-7(5)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-6-5(2)7-4;1-4-5-3-6-7(4)2;1-3-4-5-6-7(3)2/h2*3-5H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;1-2H3.
What are the key properties of bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole?
bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole has a molecular weight of 1077.47 g/mol, XLogP of 9.57, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-dimethylimidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(1,5-dimethylpyrazole);bis(1,2-dimethylpyrrole);1,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 158998394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).