bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole

C39H45N27O5S4 — CID 158264419

IUPACbis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/5C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.3C2H2N2O.2C2H2N2S/c2*1-2-5-3-4-1;3*1-2-4-5-3-1;4*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;2*1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h5*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);5*1-2H
InChIKeyGIGJUMPIIZPSTH-UHFFFAOYSA-N
MW1100.24 g/mol
LogP6.77
Rot. Bonds

About bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole

bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole (PubChem CID 158264419) has the molecular formula C39H45N27O5S4 and a molecular weight of 1100.24 g/mol. Its IUPAC name is bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole.

Molecular Properties

Compound Namebis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
PubChem CID158264419
Molecular FormulaC39H45N27O5S4
Molecular Weight1100.24 g/mol
Exact Mass1099.30
IUPAC Namebis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/5C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.3C2H2N2O.2C2H2N2S/c2*1-2-5-3-4-1;3*1-2-4-5-3-1;4*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;2*1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h5*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);5*1-2H
InChIKeyGIGJUMPIIZPSTH-UHFFFAOYSA-N
XLogP6.77
TPSA431.13 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001100.24
LogP ≤ 56.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole with MolForge

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 66973871
ethane;1H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157062258
1,2,4-oxadiazole;1,3-oxazole;bis(1H-pyrazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole)
CID 157227576
bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
CID 157469824
ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 157857228
1H-imidazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 157927277
1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole
CID 158070903
1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;3-propan-2-yl-1,2,5-thiadiazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 158233315
ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158371257
1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)
CID 158423438
1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
CID 158531802
ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158686031

Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole?
The IUPAC name of bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole (CID 158264419) is bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole.
What is the SMILES notation for bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole?
The canonical SMILES for bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole is c1c[nH]cn1.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole?
The InChIKey is GIGJUMPIIZPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.3C2H2N2O.2C2H2N2S/c2*1-2-5-3-4-1;3*1-2-4-5-3-1;4*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;2*1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h5*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);5*1-2H.
What are the key properties of bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole?
bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole has a molecular weight of 1100.24 g/mol, XLogP of 6.77, 0 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole is sourced from PubChem (CID 158264419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).