methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

C30H43N9OS — CID 158284889

IUPACmethane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESC.C.CC1=NCC=N1.Cc1ccccn1.Cc1cnccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H7N.2C5H6N2.C4H6N2.C4H5NO.C4H5NS.2CH4/c1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;3*1-4-5-2-3-6-4;;/h2-5H,1H3;2*2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3;2*1H4
InChIKeyGKQRKIKSFVHOHV-UHFFFAOYSA-N
MW577.80 g/mol
LogP7.16
Rot. Bonds

About methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 158284889) has the molecular formula C30H43N9OS and a molecular weight of 577.80 g/mol. Its IUPAC name is methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Namemethane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
PubChem CID158284889
Molecular FormulaC30H43N9OS
Molecular Weight577.80 g/mol
Exact Mass577.33
IUPAC Namemethane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESC.C.CC1=NCC=N1.Cc1ccccn1.Cc1cnccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H7N.2C5H6N2.C4H6N2.C4H5NO.C4H5NS.2CH4/c1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;3*1-4-5-2-3-6-4;;/h2-5H,1H3;2*2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3;2*1H4
InChIKeyGKQRKIKSFVHOHV-UHFFFAOYSA-N
XLogP7.16
TPSA128.09 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500577.80
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 160653083
ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
CID 167693533
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597
ethane;1-methylcyclopenta-1,3-diene;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 159514397
2-methyl-4H-imidazole;silver
CID 88675592
ethane;2-methyl-1,3-oxazole;toluene
CID 91542594
ethane;2-methylpyridine;pyridin-3-amine
CID 143747996
1,4-dioxane;2-methylpyridine
CID 158048361
2-methylpyridine;pyridine
CID 19753594
2-methylpyridine;2-methylthiophene
CID 142040303
azane;methane;2-methyl-1,3-thiazole;hydrochloride
CID 174730432

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The IUPAC name of methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (CID 158284889) is methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.
What is the SMILES notation for methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The canonical SMILES for methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is C.C.CC1=NCC=N1.Cc1ccccn1.Cc1cnccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The InChIKey is GKQRKIKSFVHOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C5H6N2.C4H6N2.C4H5NO.C4H5NS.2CH4/c1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;3*1-4-5-2-3-6-4;;/h2-5H,1H3;2*2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3;2*1H4.
What are the key properties of methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 577.80 g/mol, XLogP of 7.16, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 158284889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).