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

C57H79N11OS2 — CID 159633494

IUPAC1,2-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
SMILESCC1=CC=CC1.CC1=CC=NC1.CC1=NC=CC1.Cc1ccccc1.Cc1cccn1C.Cc1cccs1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1cncs1.Cc1nccn1C
InChIInChI=1S/C7H8.C6H9N.C6H8.3C5H8N2.2C5H7N.C5H6S.C4H5NO.C4H5NS/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-5-3-6-4/h2-6H,1H3;3-5H,1-2H3;2-4H,5H2,1H3;3*3-4H,1-2H3;2-3H,4H2,1H3;2,4H,3H2,1H3;2-4H,1H3;2*2-3H,1H3
InChIKeyMPLBZTBCPWYJCM-UHFFFAOYSA-N
MW998.47 g/mol
LogP14.28
Rot. Bonds

About 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

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 (PubChem CID 159633494) has the molecular formula C57H79N11OS2 and a molecular weight of 998.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID159633494
Molecular FormulaC57H79N11OS2
Molecular Weight998.47 g/mol
Exact Mass997.59
IUPAC Name1,2-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
SMILESCC1=CC=CC1.CC1=CC=NC1.CC1=NC=CC1.Cc1ccccc1.Cc1cccn1C.Cc1cccs1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1cncs1.Cc1nccn1C
InChIInChI=1S/C7H8.C6H9N.C6H8.3C5H8N2.2C5H7N.C5H6S.C4H5NO.C4H5NS/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-5-3-6-4/h2-6H,1H3;3-5H,1-2H3;2-4H,5H2,1H3;3*3-4H,1-2H3;2-3H,4H2,1H3;2,4H,3H2,1H3;2-4H,1H3;2*2-3H,1H3
InChIKeyMPLBZTBCPWYJCM-UHFFFAOYSA-N
XLogP14.28
TPSA122.03 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500998.47
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

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
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
1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine
CID 157398549
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-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
1-Methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158499325
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=CC=CC1.CC1=CC=NC1.CC1=NC=CC1.Cc1ccccc1.Cc1cccn1C.Cc1cccs1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1cncs1.Cc1nccn1C.
What is the InChIKey of 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?
The InChIKey is MPLBZTBCPWYJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H9N.C6H8.3C5H8N2.2C5H7N.C5H6S.C4H5NO.C4H5NS/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-5-3-6-4/h2-6H,1H3;3-5H,1-2H3;2-4H,5H2,1H3;3*3-4H,1-2H3;2-3H,4H2,1H3;2,4H,3H2,1H3;2-4H,1H3;2*2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 998.47 g/mol, XLogP of 14.28, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159633494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).