ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole

C95H212N22O5S4 — CID 159503806

IUPACethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole
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.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.2C2H2N2O.C2H2N2S.28C2H6/c3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-5-4-3-1;1-3-4-2-5-1;28*1-2/h1-5H;2*1-4H;1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);3*1-2H;28*1-2H3
InChIKeyLZSNXGNWCLKQGO-UHFFFAOYSA-N
MW1871.16 g/mol
LogP36.91
Rot. Bonds

About ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole

ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole (PubChem CID 159503806) has the molecular formula C95H212N22O5S4 and a molecular weight of 1871.16 g/mol. Its IUPAC name is ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole.

Molecular Properties

Compound Nameethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole
PubChem CID159503806
Molecular FormulaC95H212N22O5S4
Molecular Weight1871.16 g/mol
Exact Mass1869.59
IUPAC Nameethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole
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.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.2C2H2N2O.C2H2N2S.28C2H6/c3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-5-4-3-1;1-3-4-2-5-1;28*1-2/h1-5H;2*1-4H;1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);3*1-2H;28*1-2H3
InChIKeyLZSNXGNWCLKQGO-UHFFFAOYSA-N
XLogP36.91
TPSA363.78 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.16
LogP ≤ 536.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole with MolForge

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Related Compounds

furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
CID 140979130
2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2,4-triazolidin-3-yl]-1,3-oxazole
CID 141035140
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141035146
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;2-methyl-1H-imidazole;1-methylpyrrole;3-methylthiophene;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)
CID 157054085
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
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157128509
furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
CID 157128700
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

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole?
The IUPAC name of ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole (CID 159503806) is ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole.
What is the SMILES notation for ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole?
The canonical SMILES for ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole 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.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole?
The InChIKey is LZSNXGNWCLKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.2C2H2N2O.C2H2N2S.28C2H6/c3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-5-4-3-1;1-3-4-2-5-1;28*1-2/h1-5H;2*1-4H;1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);3*1-2H;28*1-2H3.
What are the key properties of ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole?
ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole has a molecular weight of 1871.16 g/mol, XLogP of 36.91, 0 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1H-imidazole;oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);2H-triazole is sourced from PubChem (CID 159503806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).