1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene

C36H48N10OS2 — CID 158720439

IUPAC1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene
SMILESCc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1ccnc1
InChIInChI=1S/C6H7N.2C5H6S.4C4H6N2.C4H5NO/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyIJVRVTLTMFOILS-UHFFFAOYSA-N
MW700.98 g/mol
LogP9.06
Rot. Bonds

About 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene

1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene (PubChem CID 158720439) has the molecular formula C36H48N10OS2 and a molecular weight of 700.98 g/mol. Its IUPAC name is 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene
PubChem CID158720439
Molecular FormulaC36H48N10OS2
Molecular Weight700.98 g/mol
Exact Mass700.35
IUPAC Name1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene
SMILESCc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1ccnc1
InChIInChI=1S/C6H7N.2C5H6S.4C4H6N2.C4H5NO/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyIJVRVTLTMFOILS-UHFFFAOYSA-N
XLogP9.06
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.98
LogP ≤ 59.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene with MolForge

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Related Compounds

2-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157166609
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine
CID 157431179
1,3-dimethylpyrrole;ethane;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;toluene
CID 158146604
5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;4-methyl-3H-pyrazole;3-methylpyridine;3-methyl-2H-pyrrole;4-methyl-1,2,4-triazole
CID 158261045
1,3-dimethylpyrrole;ethane;methane;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;toluene
CID 159052832
tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane
CID 159335294
1,4-dimethylpyrazole;1,5-dimethylpyrazole;methane;1-methylimidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;5-methyloxadiazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;5-methylthiadiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 159344372
1,3-dimethylpyrrole;ethane;methane;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;3-methylthiophene;toluene
CID 159411524
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-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine
CID 159698247
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
CID 159778550
benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole
CID 159907686

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene?
The IUPAC name of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene (CID 158720439) is 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene is Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene?
The InChIKey is IJVRVTLTMFOILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C5H6S.4C4H6N2.C4H5NO/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3.
What are the key properties of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene?
1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene has a molecular weight of 700.98 g/mol, XLogP of 9.06, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158720439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).