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

C58H93N17O3S2 — CID 158612962

IUPAC2,5-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
SMILESCC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cnccn1.Cc1ncccn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1
InChIInChI=1S/3C6H7N.2C5H6N2.3C4H6N2O.2C4H6N2S.5C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;5*1-2/h3*2-5H,1H3;2*2-4H,1H3;5*1-2H3;5*1-2H3
InChIKeyHXBDCXVQZCNHGC-UHFFFAOYSA-N
MW1140.63 g/mol
LogP15.24
Rot. Bonds

About 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

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 (PubChem CID 158612962) has the molecular formula C58H93N17O3S2 and a molecular weight of 1140.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID158612962
Molecular FormulaC58H93N17O3S2
Molecular Weight1140.63 g/mol
Exact Mass1139.71
IUPAC Name2,5-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
SMILESCC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cnccn1.Cc1ncccn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1
InChIInChI=1S/3C6H7N.2C5H6N2.3C4H6N2O.2C4H6N2S.5C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;5*1-2/h3*2-5H,1H3;2*2-4H,1H3;5*1-2H3;5*1-2H3
InChIKeyHXBDCXVQZCNHGC-UHFFFAOYSA-N
XLogP15.24
TPSA258.55 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.63
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

Bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 157104087
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
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,4-dimethylpyridine;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
CID 157333093
2,5-Ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyl-1,3-thiazole;methane
CID 157517247
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
CID 157848607
2-Propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3,5-triazine
CID 157921560
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
CID 157926679
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,3,5-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 158220506
methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158336105
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
2,5-dimethyl-4H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
CID 158462912
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
CID 158559463

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cnccn1.Cc1ncccn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.
What is the InChIKey of 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?
The InChIKey is HXBDCXVQZCNHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.2C5H6N2.3C4H6N2O.2C4H6N2S.5C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;5*1-2/h3*2-5H,1H3;2*2-4H,1H3;5*1-2H3;5*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1140.63 g/mol, XLogP of 15.24, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158612962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).