1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine

C83H159N21O3S5 — CID 157309673

IUPAC1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
SMILESC.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.c1c[nH]cn1.c1ccncc1.c1cncnc1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1ncncn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.C4H4N2.12C4H10.C3H3N3.C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.3C2H2N2S.CH4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;12*1-4(2)3;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;/h1-5H;1-4H;12*4H,1-3H3;1-3H;1-3H,(H,4,5);3*1-3H;5*1-2H;1H4
InChIKeyBCWWJPPTIXKITA-UHFFFAOYSA-N
MW1659.66 g/mol
LogP27.14
Rot. Bonds

About 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine

1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine (PubChem CID 157309673) has the molecular formula C83H159N21O3S5 and a molecular weight of 1659.66 g/mol. Its IUPAC name is 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine.

Molecular Properties

Compound Name1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
PubChem CID157309673
Molecular FormulaC83H159N21O3S5
Molecular Weight1659.66 g/mol
Exact Mass1658.15
IUPAC Name1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
SMILESC.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.c1c[nH]cn1.c1ccncc1.c1cncnc1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1ncncn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.C4H4N2.12C4H10.C3H3N3.C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.3C2H2N2S.CH4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;12*1-4(2)3;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;/h1-5H;1-4H;12*4H,1-3H3;1-3H;1-3H,(H,4,5);3*1-3H;5*1-2H;1H4
InChIKeyBCWWJPPTIXKITA-UHFFFAOYSA-N
XLogP27.14
TPSA313.01 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.66
LogP ≤ 527.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine with MolForge

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Related Compounds

4-[5-(1H-imidazol-2-yl)-1-(1,3-oxazol-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)thiadiazol-1-yl]oxadiazole
CID 141142198
benzene;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157340385
1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157483820
1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1,3,5-triazine
CID 157528866
benzene;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157565955
ethane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157678284
Ethane;1-methylimidazole;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methylpyridin-2-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yltriazole;pyridine;pyrimidine;1,3-thiazole
CID 157706715
2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157801613
1H-imidazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;1,3,5-triazine
CID 157913383
1H-imidazole;(Z)-3-iminoprop-1-en-1-amine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 158085977
1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;tetrazine;1,2,3,5-tetrazine;1,2,4,5-tetrazine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);bis(2H-triazole)
CID 158125290

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?
The IUPAC name of 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine (CID 157309673) is 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine.
What is the SMILES notation for 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?
The canonical SMILES for 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine is 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.CC(C)C.c1c[nH]cn1.c1ccncc1.c1cncnc1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1ncncn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?
The InChIKey is BCWWJPPTIXKITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4N2.12C4H10.C3H3N3.C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.3C2H2N2S.CH4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;12*1-4(2)3;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;/h1-5H;1-4H;12*4H,1-3H3;1-3H;1-3H,(H,4,5);3*1-3H;5*1-2H;1H4.
What are the key properties of 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?
1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine has a molecular weight of 1659.66 g/mol, XLogP of 27.14, 0 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 157309673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).