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

C136H278N20O4S4 — CID 157148408

IUPAC2,5-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
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.CCC.CCc1nnc(CC)o1.CCc1nnc(CC)s1.Cn1cccn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H10N2O.C6H10N2S.C5H5N.C4H6N2.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.25C3H8.C2H6/c2*1-3-5-7-8-6(4-2)9-5;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;3*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;25*1-3-2;1-2/h2*3-4H2,1-2H3;1-5H;2-4H,1H3;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;25*3H2,1-2H3;1-2H3
InChIKeyAKYYLBRSZNDKQG-UHFFFAOYSA-N
MW2386.12 g/mol
LogP50.24
Rot. Bonds4

About 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

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 (PubChem CID 157148408) has the molecular formula C136H278N20O4S4 and a molecular weight of 2386.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID157148408
Molecular FormulaC136H278N20O4S4
Molecular Weight2386.12 g/mol
Exact Mass2384.10
IUPAC Name2,5-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
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.CCC.CCc1nnc(CC)o1.CCc1nnc(CC)s1.Cn1cccn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H10N2O.C6H10N2S.C5H5N.C4H6N2.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.25C3H8.C2H6/c2*1-3-5-7-8-6(4-2)9-5;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;3*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;25*1-3-2;1-2/h2*3-4H2,1-2H3;1-5H;2-4H,1H3;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;25*3H2,1-2H3;1-2H3
InChIKeyAKYYLBRSZNDKQG-UHFFFAOYSA-N
XLogP50.24
TPSA311.10 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds4
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.12
LogP ≤ 550.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.CCC.CCc1nnc(CC)o1.CCc1nnc(CC)s1.Cn1cccn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.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;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?
The InChIKey is AKYYLBRSZNDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C6H10N2S.C5H5N.C4H6N2.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.25C3H8.C2H6/c2*1-3-5-7-8-6(4-2)9-5;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;3*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;25*1-3-2;1-2/h2*3-4H2,1-2H3;1-5H;2-4H,1H3;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;25*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;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?
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 has a molecular weight of 2386.12 g/mol, XLogP of 50.24, 4 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;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 is sourced from PubChem (CID 157148408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).