dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole

C76H148N20O6S6 — CID 161012795

IUPACdodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/12C4H10.2C3H3NO.2C3H3NS.4C2H2N2O.4C2H2N2S/c12*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h12*4H,1-3H3;4*1-3H;8*1-2H
InChIKeyTXIPYCRKOVUEMK-UHFFFAOYSA-N
MW1630.56 g/mol
LogP26.01
Rot. Bonds

About dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole

dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole (PubChem CID 161012795) has the molecular formula C76H148N20O6S6 and a molecular weight of 1630.56 g/mol. Its IUPAC name is dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

Compound Namedodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
PubChem CID161012795
Molecular FormulaC76H148N20O6S6
Molecular Weight1630.56 g/mol
Exact Mass1629.02
IUPAC Namedodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/12C4H10.2C3H3NO.2C3H3NS.4C2H2N2O.4C2H2N2S/c12*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h12*4H,1-3H3;4*1-3H;8*1-2H
InChIKeyTXIPYCRKOVUEMK-UHFFFAOYSA-N
XLogP26.01
TPSA336.64 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001630.56
LogP ≤ 526.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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Related Compounds

1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
CID 69285899
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
Dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;bis(1,2,5-oxadiazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 157625875
1,4-dihydro-1,2,4-triazol-5-one;4H-imidazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;4H-1,2,4-oxadiazol-5-one;1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;pyrrolidin-2-one;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 157846871
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
icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 158087202
1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
CID 158113533
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
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
ethane;1H-imidazole;pentadecakis(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;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158691836
Oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole
CID 158893269

Frequently Asked Questions

What is the IUPAC name of dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?
The IUPAC name of dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole (CID 161012795) is dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole.
What is the SMILES notation for dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?
The canonical SMILES for dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?
The InChIKey is TXIPYCRKOVUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/12C4H10.2C3H3NO.2C3H3NS.4C2H2N2O.4C2H2N2S/c12*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h12*4H,1-3H3;4*1-3H;8*1-2H.
What are the key properties of dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?
dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1630.56 g/mol, XLogP of 26.01, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 161012795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).