methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene

C71H108N16OS — CID 158226330

IUPACmethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene
SMILESC.C.C.C.C.C.C.C.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C7H8.4C6H7N.4C5H6N2.C4H6N2.C4H5NO.C4H5NS.8CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-4-5-2-3-6-4;;;;;;;;/h2-6H,1H3;4*2-5H,1H3;4*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1H4
InChIKeyGDVOQTBQQSQOSV-UHFFFAOYSA-N
MW1233.82 g/mol
LogP18.94
Rot. Bonds

About methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene

methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene (PubChem CID 158226330) has the molecular formula C71H108N16OS and a molecular weight of 1233.82 g/mol. Its IUPAC name is methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene.

Molecular Properties

Compound Namemethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene
PubChem CID158226330
Molecular FormulaC71H108N16OS
Molecular Weight1233.82 g/mol
Exact Mass1232.86
IUPAC Namemethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene
SMILESC.C.C.C.C.C.C.C.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C7H8.4C6H7N.4C5H6N2.C4H6N2.C4H5NO.C4H5NS.8CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-4-5-2-3-6-4;;;;;;;;/h2-6H,1H3;4*2-5H,1H3;4*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1H4
InChIKeyGDVOQTBQQSQOSV-UHFFFAOYSA-N
XLogP18.94
TPSA222.28 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001233.82
LogP ≤ 518.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158621530
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
CID 141050919
4-[6-(1,3-Oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole
CID 141061490
2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
CID 141144443
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene?
The IUPAC name of methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene (CID 158226330) is methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene.
What is the SMILES notation for methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene?
The canonical SMILES for methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene is C.C.C.C.C.C.C.C.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene?
The InChIKey is GDVOQTBQQSQOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.4C6H7N.4C5H6N2.C4H6N2.C4H5NO.C4H5NS.8CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-4-5-2-3-6-4;;;;;;;;/h2-6H,1H3;4*2-5H,1H3;4*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1H4.
What are the key properties of methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene?
methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene has a molecular weight of 1233.82 g/mol, XLogP of 18.94, 0 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene is sourced from PubChem (CID 158226330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).