methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole

C73H146N26O5S5 — CID 159834250

IUPACmethane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
SMILESC.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)c1nnno1.CC(C)c1nnns1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1
InChIInChI=1S/C4H7N3O.C4H7N3S.C4H4N2.10C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.CHN3O.CHN3S.2CH4/c2*1-3(2)4-5-6-7-8-4;1-2-6-4-3-5-1;10*1-4(2)3;3*1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;3*1-2-4-5-3-1;;/h2*3H,1-2H3;1-4H;10*4H,1-3H3;1-3H,(H,4,5);2*1-3H;4*1-2H;2*1H;2*1H4
InChIKeyNNVWVCZBZYJPIJ-UHFFFAOYSA-N
MW1628.48 g/mol
LogP22.86
Rot. Bonds2

About methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole

methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole (PubChem CID 159834250) has the molecular formula C73H146N26O5S5 and a molecular weight of 1628.48 g/mol. Its IUPAC name is methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole.

Molecular Properties

Compound Namemethane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
PubChem CID159834250
Molecular FormulaC73H146N26O5S5
Molecular Weight1628.48 g/mol
Exact Mass1627.06
IUPAC Namemethane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
SMILESC.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)c1nnno1.CC(C)c1nnns1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1
InChIInChI=1S/C4H7N3O.C4H7N3S.C4H4N2.10C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.CHN3O.CHN3S.2CH4/c2*1-3(2)4-5-6-7-8-4;1-2-6-4-3-5-1;10*1-4(2)3;3*1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;3*1-2-4-5-3-1;;/h2*3H,1-2H3;1-4H;10*4H,1-3H3;1-3H,(H,4,5);2*1-3H;4*1-2H;2*1H;2*1H4
InChIKeyNNVWVCZBZYJPIJ-UHFFFAOYSA-N
XLogP22.86
TPSA403.74 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds2
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.48
LogP ≤ 522.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?
The IUPAC name of methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole (CID 159834250) is methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole.
What is the SMILES notation for methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?
The canonical SMILES for methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole is 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)c1nnno1.CC(C)c1nnns1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1.
What is the InChIKey of methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?
The InChIKey is NNVWVCZBZYJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C4H7N3S.C4H4N2.10C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.CHN3O.CHN3S.2CH4/c2*1-3(2)4-5-6-7-8-4;1-2-6-4-3-5-1;10*1-4(2)3;3*1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;3*1-2-4-5-3-1;;/h2*3H,1-2H3;1-4H;10*4H,1-3H3;1-3H,(H,4,5);2*1-3H;4*1-2H;2*1H;2*1H4.
What are the key properties of methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?
methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole has a molecular weight of 1628.48 g/mol, XLogP of 22.86, 2 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for methane;decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;pyrazine;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole is sourced from PubChem (CID 159834250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).