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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)

C178H320N24O3S8 — CID 158448616

IUPAC2,5-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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCC1.CC1CCCCC1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1ccncc1.Cc1ccncn1.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1ncccn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.c1ccncc1
InChIInChI=1S/2C11H10.C7H14.C7H8.3C6H9NS.2C6H7N.2C6H8S.C6H12.3C5H6N2.C5H5N.3C4H6N2O.3C4H6N2S.25C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-5-3-2-4-6-7;3*1-4-5(2)8-6(3)7-4;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;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;2*1-3-5-4(2)7-6-3;25*1-2/h2*2-8H,1H3;7H,2-6H2,1H3;2-6H,1H3;3*1-3H3;2*2-5H,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;3*2-4H,1H3;1-5H;6*1-2H3;25*1-2H3
InChIKeyHDRTTZNSZLYUDZ-UHFFFAOYSA-N
MW3101.22 g/mol
LogP61.41
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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)

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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 158448616) has the molecular formula C178H320N24O3S8 and a molecular weight of 3101.22 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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole).

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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
PubChem CID158448616
Molecular FormulaC178H320N24O3S8
Molecular Weight3101.22 g/mol
Exact Mass3098.34
IUPAC Name2,5-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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCC1.CC1CCCCC1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1ccncc1.Cc1ccncn1.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1ncccn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.c1ccncc1
InChIInChI=1S/2C11H10.C7H14.C7H8.3C6H9NS.2C6H7N.2C6H8S.C6H12.3C5H6N2.C5H5N.3C4H6N2O.3C4H6N2S.25C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-5-3-2-4-6-7;3*1-4-5(2)8-6(3)7-4;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;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;2*1-3-5-4(2)7-6-3;25*1-2/h2*2-8H,1H3;7H,2-6H2,1H3;2-6H,1H3;3*1-3H3;2*2-5H,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;3*2-4H,1H3;1-5H;6*1-2H3;25*1-2H3
InChIKeyHDRTTZNSZLYUDZ-UHFFFAOYSA-N
XLogP61.41
TPSA348.78 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003101.22
LogP ≤ 561.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole) with MolForge

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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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)?
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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole) (CID 158448616) is 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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole).
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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)?
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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCC1.CC1CCCCC1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1ccncc1.Cc1ccncn1.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1ncccn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.c1ccncc1.
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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)?
The InChIKey is HDRTTZNSZLYUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.C7H14.C7H8.3C6H9NS.2C6H7N.2C6H8S.C6H12.3C5H6N2.C5H5N.3C4H6N2O.3C4H6N2S.25C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-5-3-2-4-6-7;3*1-4-5(2)8-6(3)7-4;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;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;2*1-3-5-4(2)7-6-3;25*1-2/h2*2-8H,1H3;7H,2-6H2,1H3;2-6H,1H3;3*1-3H3;2*2-5H,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;3*2-4H,1H3;1-5H;6*1-2H3;25*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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole)?
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;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 3101.22 g/mol, XLogP of 61.41, 0 rotatable bonds, 0 hydrogen bond donors, and 35 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;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,3-dimethylthiophene);ethane;methylcyclohexane;methylcyclopentane;1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pyridine;toluene;tris(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 158448616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).