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

C33H43N7OS2 — CID 157166609

IUPAC2-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILESCc1ccc[nH]1.Cc1ccccc1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1cncs1.Cc1ncc[nH]1
InChIInChI=1S/C7H8.C5H7N.C5H6S.2C4H6N2.C4H5NO.C4H5NS/c1-7-5-3-2-4-6-7;2*1-5-3-2-4-6-5;1-4-5-2-3-6-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4/h2-6H,1H3;2-4,6H,1H3;2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3
InChIKeyAMZGUODWVZMHIP-UHFFFAOYSA-N
MW617.89 g/mol
LogP9.25
Rot. Bonds

About 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

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 (PubChem CID 157166609) has the molecular formula C33H43N7OS2 and a molecular weight of 617.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
PubChem CID157166609
Molecular FormulaC33H43N7OS2
Molecular Weight617.89 g/mol
Exact Mass617.30
IUPAC Name2-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILESCc1ccc[nH]1.Cc1ccccc1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1cncs1.Cc1ncc[nH]1
InChIInChI=1S/C7H8.C5H7N.C5H6S.2C4H6N2.C4H5NO.C4H5NS/c1-7-5-3-2-4-6-7;2*1-5-3-2-4-6-5;1-4-5-2-3-6-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4/h2-6H,1H3;2-4,6H,1H3;2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3
InChIKeyAMZGUODWVZMHIP-UHFFFAOYSA-N
XLogP9.25
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.89
LogP ≤ 59.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;1,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-7-ium;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 157219463
5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;4-tert-butyl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157303965
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157353170
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 158027284
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine
CID 158398925
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158452445
4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene
CID 158592026
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
3-tert-butyl-2H-indazole;2-tert-butyl-1,3-thiazole;octakis(2,2-dimethylpropane);1H-imidazole;1H-isoindole;1,2-oxazole;pyrazine;3H-pyrrole;bis(7H-pyrrolo[3,4-d]pyrimidine);1,2-thiazole
CID 158781954
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
5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butyl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159711614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc[nH]1.Cc1ccccc1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1cncs1.Cc1ncc[nH]1.
What is the InChIKey of 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?
The InChIKey is AMZGUODWVZMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H7N.C5H6S.2C4H6N2.C4H5NO.C4H5NS/c1-7-5-3-2-4-6-7;2*1-5-3-2-4-6-5;1-4-5-2-3-6-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4/h2-6H,1H3;2-4,6H,1H3;2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 617.89 g/mol, XLogP of 9.25, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157166609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).