1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene

C35H66N6O2S2 — CID 158927067

IUPAC1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccsc1.c1cocn1.c1cscn1.c1nnco1
InChIInChI=1S/C4H4S.5C4H10.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-4-5-3-1;5*1-4(2)3;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-4H;5*4H,1-3H3;1-3H,(H,4,5);2*1-3H;1-2H
InChIKeyJIOSKKFKEPPPHX-UHFFFAOYSA-N
MW667.09 g/mol
LogP12.36
Rot. Bonds

About 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene

1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene (PubChem CID 158927067) has the molecular formula C35H66N6O2S2 and a molecular weight of 667.09 g/mol. Its IUPAC name is 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene
PubChem CID158927067
Molecular FormulaC35H66N6O2S2
Molecular Weight667.09 g/mol
Exact Mass666.47
IUPAC Name1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccsc1.c1cocn1.c1cscn1.c1nnco1
InChIInChI=1S/C4H4S.5C4H10.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-4-5-3-1;5*1-4(2)3;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-4H;5*4H,1-3H3;1-3H,(H,4,5);2*1-3H;1-2H
InChIKeyJIOSKKFKEPPPHX-UHFFFAOYSA-N
XLogP12.36
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.09
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1H-imidazole;1-methylimidazole;bis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 157851444
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
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
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 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene?
The IUPAC name of 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene (CID 158927067) is 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene.
What is the SMILES notation for 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene?
The canonical SMILES for 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccsc1.c1cocn1.c1cscn1.c1nnco1.
What is the InChIKey of 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene?
The InChIKey is JIOSKKFKEPPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.5C4H10.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-4-5-3-1;5*1-4(2)3;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-4H;5*4H,1-3H3;1-3H,(H,4,5);2*1-3H;1-2H.
What are the key properties of 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene?
1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene has a molecular weight of 667.09 g/mol, XLogP of 12.36, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158927067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).