bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole

C59H89N11O2S2 — CID 157088291

IUPACbis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C
InChIInChI=1S/2C9H10N2.C8H7NO.C8H7NS.C5H9N3.C4H5NO.C4H5NS.6C2H6/c2*1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;6*1-2/h2*3-6H,1-2H3;2*2-5H,1H3;1-3H3;2*2-3H,1H3;6*1-2H3
InChIKeyAEIRZNBZVHMACK-UHFFFAOYSA-N
MW1048.57 g/mol
LogP17.67
Rot. Bonds

About bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole

bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 157088291) has the molecular formula C59H89N11O2S2 and a molecular weight of 1048.57 g/mol. Its IUPAC name is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
PubChem CID157088291
Molecular FormulaC59H89N11O2S2
Molecular Weight1048.57 g/mol
Exact Mass1047.66
IUPAC Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C
InChIInChI=1S/2C9H10N2.C8H7NO.C8H7NS.C5H9N3.C4H5NO.C4H5NS.6C2H6/c2*1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;6*1-2/h2*3-6H,1-2H3;2*2-5H,1H3;1-3H3;2*2-3H,1H3;6*1-2H3
InChIKeyAEIRZNBZVHMACK-UHFFFAOYSA-N
XLogP17.67
TPSA143.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.57
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole with MolForge

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Related Compounds

2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091
2-Tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 160783516
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4-cyclopropyl-1,3-thiazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);bis(2-tert-butyl-5-methyl-1,3,4-thiadiazole);tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 161707320
N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methyl-4-[[4-[[2-[(2E)-2-[1-(1,3-oxazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]benzimidazol-1-yl]methyl]benzimidazol-2-amine
CID 132001588
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;5-methylthiadiazole;2-methyl-1,3-thiazole
CID 157071653
Bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole
CID 157201879
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
CID 157311089
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1,3-oxazole;1,3-thiazole
CID 157315177
1,2-Dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine
CID 157338423

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole (CID 157088291) is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C.
What is the InChIKey of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is AEIRZNBZVHMACK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.C8H7NO.C8H7NS.C5H9N3.C4H5NO.C4H5NS.6C2H6/c2*1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;6*1-2/h2*3-6H,1-2H3;2*2-5H,1H3;1-3H3;2*2-3H,1H3;6*1-2H3.
What are the key properties of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1048.57 g/mol, XLogP of 17.67, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 157088291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).