1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

C40H62N12OS2 — CID 158053582

IUPAC1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESC.C.C.CC1=NN=CC1.Cc1ccccn1.Cc1cnc(C)s1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H7N.C5H8N2.C5H6N2.C5H7NS.2C4H6N2.C4H5NO.C4H5NS.3CH4/c1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-4-3-6-5(2)7-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-4-5-2-3-6-4;;;/h2-5H,1H3;3-4H,1-2H3;2-4H,1H3;3H,1-2H3;2-3H,1H3,(H,5,6);3H,2H2,1H3;2*2-3H,1H3;3*1H4
InChIKeyFJTQZURZTVZQGD-UHFFFAOYSA-N
MW791.15 g/mol
LogP10.56
Rot. Bonds

About 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 158053582) has the molecular formula C40H62N12OS2 and a molecular weight of 791.15 g/mol. Its IUPAC name is 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
PubChem CID158053582
Molecular FormulaC40H62N12OS2
Molecular Weight791.15 g/mol
Exact Mass790.46
IUPAC Name1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESC.C.C.CC1=NN=CC1.Cc1ccccn1.Cc1cnc(C)s1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H7N.C5H8N2.C5H6N2.C5H7NS.2C4H6N2.C4H5NO.C4H5NS.3CH4/c1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-4-3-6-5(2)7-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-4-5-2-3-6-4;;;/h2-5H,1H3;3-4H,1-2H3;2-4H,1H3;3H,1-2H3;2-3H,1H3,(H,5,6);3H,2H2,1H3;2*2-3H,1H3;3*1H4
InChIKeyFJTQZURZTVZQGD-UHFFFAOYSA-N
XLogP10.56
TPSA161.70 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.15
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole with MolForge

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Related Compounds

1-[5-(2,6-Dimethylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1-[[5-(2,6-dimethylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-[2-(1-ethylimidazol-4-yl)ethylcarbamoyl]amino]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
CID 91225208
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)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 141050925
4-[5-(1H-imidazol-2-yl)-1-(1,3-oxazol-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)thiadiazol-1-yl]oxadiazole
CID 141142198
2-[6-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-2-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-4-yl]-1,3-oxazole
CID 141192924
2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole
CID 157135326
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
ethane;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;1-methylisoquinoline;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine
CID 157461701
1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1,3,5-triazine
CID 157528866

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The IUPAC name of 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (CID 158053582) is 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.
What is the SMILES notation for 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The canonical SMILES for 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is C.C.C.CC1=NN=CC1.Cc1ccccn1.Cc1cnc(C)s1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.
What is the InChIKey of 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The InChIKey is FJTQZURZTVZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H8N2.C5H6N2.C5H7NS.2C4H6N2.C4H5NO.C4H5NS.3CH4/c1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-4-3-6-5(2)7-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-4-5-2-3-6-4;;;/h2-5H,1H3;3-4H,1-2H3;2-4H,1H3;3H,1-2H3;2-3H,1H3,(H,5,6);3H,2H2,1H3;2*2-3H,1H3;3*1H4.
What are the key properties of 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 791.15 g/mol, XLogP of 10.56, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 158053582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).