2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine

C59H96N18O2S4 — CID 158435799

IUPAC2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine
SMILESCC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cnnn1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.c1ccncc1.c1cncnc1
InChIInChI=1S/2C6H9N.2C5H7NS.C5H5N.C4H7N3.2C4H6N2O.2C4H6N2S.C4H4N2.4C2H6/c2*1-6-3-4-7(2)5-6;2*1-4-3-7-5(2)6-4;1-2-4-6-5-3-1;1-4-3-5-6-7(4)2;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-2-5-4-6-3-1;4*1-2/h2*3-5H,1-2H3;2*3H,1-2H3;1-5H;3H,1-2H3;4*1-2H3;1-4H;4*1-2H3
InChIKeyHCEZVRHNVPVSEJ-UHFFFAOYSA-N
MW1217.81 g/mol
LogP15.66
Rot. Bonds

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine (PubChem CID 158435799) has the molecular formula C59H96N18O2S4 and a molecular weight of 1217.81 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine
PubChem CID158435799
Molecular FormulaC59H96N18O2S4
Molecular Weight1217.81 g/mol
Exact Mass1216.68
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine
SMILESCC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cnnn1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.c1ccncc1.c1cncnc1
InChIInChI=1S/2C6H9N.2C5H7NS.C5H5N.C4H7N3.2C4H6N2O.2C4H6N2S.C4H4N2.4C2H6/c2*1-6-3-4-7(2)5-6;2*1-4-3-7-5(2)6-4;1-2-4-6-5-3-1;1-4-3-5-6-7(4)2;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-2-5-4-6-3-1;4*1-2/h2*3-5H,1-2H3;2*3H,1-2H3;1-5H;3H,1-2H3;4*1-2H3;1-4H;4*1-2H3
InChIKeyHCEZVRHNVPVSEJ-UHFFFAOYSA-N
XLogP15.66
TPSA234.42 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.81
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine with MolForge

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Related Compounds

2,5-Dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;1-methyl-1,2,4-triazole
CID 157246278
2,5-Dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;ethane;2-methylpyrimidine;1-methyl-1,2,4-triazole
CID 157251083
2-tert-butyl-5-cyclopropylthiophene;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
CID 157562886
3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 157738352
3,5-Dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 157882437
3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 158321686
1,4-Ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 158372933
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine
CID 158612962
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;bis(1-(3-methylbutyl)pyrazole);1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;4-methyl-1-(3-methylbutylsulfanyl)-2H-triazol-1-ium;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-4-(2-methylpropyl)-1,2,5-oxadiazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
CID 158784046
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 159068029
1,4-Dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
CID 159259847
2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
CID 159445385

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine (CID 158435799) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine.
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine is CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1cnnn1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.c1ccncc1.c1cncnc1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine?
The InChIKey is HCEZVRHNVPVSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.2C5H7NS.C5H5N.C4H7N3.2C4H6N2O.2C4H6N2S.C4H4N2.4C2H6/c2*1-6-3-4-7(2)5-6;2*1-4-3-7-5(2)6-4;1-2-4-6-5-3-1;1-4-3-5-6-7(4)2;1-3-5-6-4(2)7-3;3*1-3-5-4(2)7-6-3;1-2-5-4-6-3-1;4*1-2/h2*3-5H,1-2H3;2*3H,1-2H3;1-5H;3H,1-2H3;4*1-2H3;1-4H;4*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine?
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine has a molecular weight of 1217.81 g/mol, XLogP of 15.66, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine is sourced from PubChem (CID 158435799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).