tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene

C45H50N20O6S5 — CID 161363365

IUPACtris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene
SMILESCn1ccnc1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1ccsc1.c1ccsc1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1cscn1.c1ncon1.c1ncon1.c1nnco1
InChIInChI=1S/C4H6N2.2C4H4S.3C3H4N2.3C3H3NO.3C3H3NS.3C2H2N2O/c1-6-3-2-5-4-6;2*1-2-4-5-3-1;9*1-2-5-3-4-1;1-3-4-2-5-1;2*1-3-2-5-4-1/h2-4H,1H3;2*1-4H;3*1-3H,(H,4,5);6*1-3H;3*1-2H
InChIKeyVPMGITJNKHJOIZ-UHFFFAOYSA-N
MW1127.36 g/mol
LogP10.81
Rot. Bonds

About tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene

tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene (PubChem CID 161363365) has the molecular formula C45H50N20O6S5 and a molecular weight of 1127.36 g/mol. Its IUPAC name is tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene.

Molecular Properties

Compound Nametris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene
PubChem CID161363365
Molecular FormulaC45H50N20O6S5
Molecular Weight1127.36 g/mol
Exact Mass1126.28
IUPAC Nametris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene
SMILESCn1ccnc1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1ccsc1.c1ccsc1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1cscn1.c1ncon1.c1ncon1.c1nnco1
InChIInChI=1S/C4H6N2.2C4H4S.3C3H4N2.3C3H3NO.3C3H3NS.3C2H2N2O/c1-6-3-2-5-4-6;2*1-2-4-5-3-1;9*1-2-5-3-4-1;1-3-4-2-5-1;2*1-3-2-5-4-1/h2-4H,1H3;2*1-4H;3*1-3H,(H,4,5);6*1-3H;3*1-2H
InChIKeyVPMGITJNKHJOIZ-UHFFFAOYSA-N
XLogP10.81
TPSA337.38 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.36
LogP ≤ 510.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazole;1-methylimidazole;bis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 157851444
1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene
CID 158927067
ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 159104548
1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 159190259
1H-imidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 160305950
1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene
CID 160644198
1H-imidazole;1-methylpyrrole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);1H-pyrrole;bis(1,3-thiazole)
CID 161516353
tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tetrakis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 161810386

Frequently Asked Questions

What is the IUPAC name of tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene?
The IUPAC name of tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene (CID 161363365) is tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene.
What is the SMILES notation for tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene?
The canonical SMILES for tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene is Cn1ccnc1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1ccsc1.c1ccsc1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.c1cscn1.c1ncon1.c1ncon1.c1nnco1.
What is the InChIKey of tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene?
The InChIKey is VPMGITJNKHJOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.2C4H4S.3C3H4N2.3C3H3NO.3C3H3NS.3C2H2N2O/c1-6-3-2-5-4-6;2*1-2-4-5-3-1;9*1-2-5-3-4-1;1-3-4-2-5-1;2*1-3-2-5-4-1/h2-4H,1H3;2*1-4H;3*1-3H,(H,4,5);6*1-3H;3*1-2H.
What are the key properties of tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene?
tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene has a molecular weight of 1127.36 g/mol, XLogP of 10.81, 0 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene is sourced from PubChem (CID 161363365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).