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

C70H137N25O6S5 — CID 158530772

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

decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole (PubChem CID 158530772) has the molecular formula C70H137N25O6S5 and a molecular weight of 1585.37 g/mol. Its IUPAC name is decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole.

Molecular Properties

• Compound Name: decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
• PubChem CID: 158530772
• Molecular Formula: C70H137N25O6S5
• Molecular Weight: 1585.37 g/mol
• Exact Mass: 1583.98
• IUPAC Name: decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
• SMILES: 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.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1
• InChI: InChI=1S/C4H7N3O.C4H7N3S.10C4H10.C3H4N2.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.CHN3O.CHN3S/c2*1-3(2)4-5-6-7-8-4;10*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;2*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;10*4H,1-3H3;1-3H,(H,4,5);3*1-3H;4*1-2H;2*1H
• InChIKey: HNIKORJTVXGZHA-UHFFFAOYSA-N
• XLogP: 21.78
• TPSA: 403.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 2
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1585.37
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

The IUPAC name of decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole (CID 158530772) is decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole.

What is the SMILES notation for decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

The canonical SMILES for decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-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)c1nnno1.CC(C)c1nnns1.c1cn[nH]c1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1csnn1.c1nnon1.c1nnsn1.

What is the InChIKey of decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

The InChIKey is HNIKORJTVXGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C4H7N3S.10C4H10.C3H4N2.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.CHN3O.CHN3S/c2*1-3(2)4-5-6-7-8-4;10*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;2*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;10*4H,1-3H3;1-3H,(H,4,5);3*1-3H;4*1-2H;2*1H.

What are the key properties of decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole?

decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole has a molecular weight of 1585.37 g/mol, XLogP of 21.78, 2 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole is sourced from PubChem (CID 158530772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).