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

C59H98N16OS — CID 159174734

IUPACbis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccncn1.Cc1cncnc1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1ncncn1.Cc1nnc(C)n1C
InChIInChI=1S/2C9H10N2.C5H9N3.2C5H6N2.C4H5N3.C4H5NO.C4H5NS.7C2H6/c2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-4-6-7-5(2)8(4)3;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;2*1-4-5-2-3-6-4;7*1-2/h2*3-6H,1-2H3;1-3H3;2*2-4H,1H3;2-3H,1H3;2*2-3H,1H3;7*1-2H3
InChIKeyKMDAIYBROFZGOD-UHFFFAOYSA-N
MW1079.61 g/mol
LogP15.70
Rot. Bonds

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

bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 159174734) has the molecular formula C59H98N16OS and a molecular weight of 1079.61 g/mol. Its IUPAC name is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole
PubChem CID159174734
Molecular FormulaC59H98N16OS
Molecular Weight1079.61 g/mol
Exact Mass1078.78
IUPAC Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccncn1.Cc1cncnc1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1ncncn1.Cc1nnc(C)n1C
InChIInChI=1S/2C9H10N2.C5H9N3.2C5H6N2.C4H5N3.C4H5NO.C4H5NS.7C2H6/c2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-4-6-7-5(2)8(4)3;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;2*1-4-5-2-3-6-4;7*1-2/h2*3-6H,1-2H3;1-3H3;2*2-4H,1H3;2-3H,1H3;2*2-3H,1H3;7*1-2H3
InChIKeyKMDAIYBROFZGOD-UHFFFAOYSA-N
XLogP15.70
TPSA194.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.61
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Related Compounds

2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159116422
CID 161280549
CID 161280549
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
2,3-di(propan-2-yl)-1H-imidazo[1,5-a]imidazole;5,6-di(propan-2-yl)-7H-imidazo[1,2-a]imidazole;2,3-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,3-di(propan-2-yl)imidazo[1,2-a]pyridine;2,3-di(propan-2-yl)imidazo[1,2-a]pyrimidine;6,7-di(propan-2-yl)imidazo[1,2-a][1,3,5]triazine;5,6-di(propan-2-yl)imidazo[2,1-b][1,3]oxazole;2,3-di(propan-2-yl)imidazo[1,2-b]pyridazine;5,6-di(propan-2-yl)imidazo[2,1-b][1,3]thiazole;6,7-di(propan-2-yl)imidazo[1,2-b][1,2,4]triazine;2,3-di(propan-2-yl)imidazo[1,2-c]pyrimidine;6,7-di(propan-2-yl)imidazo[2,1-c][1,2,4]triazine;5,6-di(propan-2-yl)-1H-imidazo[2,1-c][1,2,4]triazole;5,6-di(propan-2-yl)imidazo[1,2-d][1,2,4]oxadiazole;2,3-di(propan-2-yl)imidazo[1,2-d][1,2,4]triazine;6,7-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazine;2,3-di(propan-2-yl)-1H-pyrrolo[1,2-a]imidazole
CID 157313547
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-3H-imidazo[4,5-b]pyrazine;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;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;2,8-dimethyl-7H-purine;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 157422107
1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 157457971
CID 157525435
CID 157525435
bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);methane
CID 157673150
Tert-butylbenzene;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;ethane
CID 157698182
Ethane;1-methylimidazole;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methylpyridin-2-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yltriazole;pyridine;pyrimidine;1,3-thiazole
CID 157706715
3-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 157784780
2-propan-2-yl-1,3-oxazole;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidine;2-propan-2-yl-1,3-thiazole
CID 157881159

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;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-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole (CID 159174734) is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;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-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;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-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.Cc1ccncn1.Cc1cncnc1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1ncncn1.Cc1nnc(C)n1C.
What is the InChIKey of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is KMDAIYBROFZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.C5H9N3.2C5H6N2.C4H5N3.C4H5NO.C4H5NS.7C2H6/c2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-4-6-7-5(2)8(4)3;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;2*1-4-5-2-3-6-4;7*1-2/h2*3-6H,1-2H3;1-3H3;2*2-4H,1H3;2-3H,1H3;2*2-3H,1H3;7*1-2H3.
What are the key properties of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole?
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1079.61 g/mol, XLogP of 15.70, 0 rotatable bonds, 0 hydrogen bond donors, and 18 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-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159174734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).