2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene

C135H275N21O3S4 — CID 160973161

IUPAC2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1nnc(CC)o1.CCc1nnc(CC)s1.CCn1cccc1.Cn1cccn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H10N2O.C6H10N2S.C6H9N.C5H5N.C4H6N2.2C4H4N2.C4H5N.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.24C3H8.C2H6/c2*1-3-5-7-8-6(4-2)9-5;1-2-7-5-3-4-6-7;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;24*1-3-2;1-2/h2*3-4H2,1-2H3;3-6H,2H2,1H3;1-5H;2-4H,1H3;2*1-4H;1-5H;1-4H;2*1-3H,(H,4,5);4*1-3H;24*3H2,1-2H3;1-2H3
InChIKeySYNGJSQJDBVWNH-UHFFFAOYSA-N
MW2369.10 g/mol
LogP49.06
Rot. Bonds5

About 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene

2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 160973161) has the molecular formula C135H275N21O3S4 and a molecular weight of 2369.10 g/mol. Its IUPAC name is 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID160973161
Molecular FormulaC135H275N21O3S4
Molecular Weight2369.10 g/mol
Exact Mass2367.09
IUPAC Name2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1nnc(CC)o1.CCc1nnc(CC)s1.CCn1cccc1.Cn1cccn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H10N2O.C6H10N2S.C6H9N.C5H5N.C4H6N2.2C4H4N2.C4H5N.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.24C3H8.C2H6/c2*1-3-5-7-8-6(4-2)9-5;1-2-7-5-3-4-6-7;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;24*1-3-2;1-2/h2*3-4H2,1-2H3;3-6H,2H2,1H3;1-5H;2-4H,1H3;2*1-4H;1-5H;1-4H;2*1-3H,(H,4,5);4*1-3H;24*3H2,1-2H3;1-2H3
InChIKeySYNGJSQJDBVWNH-UHFFFAOYSA-N
XLogP49.06
TPSA302.89 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds5
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002369.10
LogP ≤ 549.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-pyridinyl]-1,3-oxazole
CID 141099595
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
furan;1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157126387
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157148408
CID 157190076
CID 157190076
2-tert-butyl-4H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;bis(5-tert-butyl-2H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butylthiadiazole;5-tert-butylthiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157200526
benzene;cyclobutane;cyclohexa-2,4-dien-1-one;cyclohexane;cyclopentane;cyclopropane;furan;1H-imidazole;methylcyclopropane;morpholine;1,2-oxazole;1,3-oxazole;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2-thiazole;1,3-thiazole;thiophene
CID 157243663
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157269205
benzene;cyclohexa-2,4-dien-1-one;furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157277637
1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
CID 157309673
1,3-Dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;methane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
CID 157326610

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (CID 160973161) is 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1nnc(CC)o1.CCc1nnc(CC)s1.CCn1cccc1.Cn1cccn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is SYNGJSQJDBVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C6H10N2S.C6H9N.C5H5N.C4H6N2.2C4H4N2.C4H5N.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.24C3H8.C2H6/c2*1-3-5-7-8-6(4-2)9-5;1-2-7-5-3-4-6-7;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;24*1-3-2;1-2/h2*3-4H2,1-2H3;3-6H,2H2,1H3;1-5H;2-4H,1H3;2*1-4H;1-5H;1-4H;2*1-3H,(H,4,5);4*1-3H;24*3H2,1-2H3;1-2H3.
What are the key properties of 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 2369.10 g/mol, XLogP of 49.06, 5 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;1-ethylpyrrole;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 160973161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).