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

C95H181N25O3S6 — CID 158800629

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

1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine (PubChem CID 158800629) has the molecular formula C95H181N25O3S6 and a molecular weight of 1914.07 g/mol. Its IUPAC name is 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine.

Molecular Properties

• Compound Name: 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
• PubChem CID: 158800629
• Molecular Formula: C95H181N25O3S6
• Molecular Weight: 1914.07 g/mol
• Exact Mass: 1912.31
• IUPAC Name: 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
• 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)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cncnc1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1csnn1.c1ncncn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/C5H5N.C4H4N2.14C4H10.C3H3N3.2C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.4C2H2N2S/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;14*1-4(2)3;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;2*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;1-2-4-5-3-1/h1-5H;1-4H;14*4H,1-3H3;1-3H;2*1-3H,(H,4,5);3*1-3H;6*1-2H
• InChIKey: ITLADHAVXALJCU-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 367.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.07
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

The IUPAC name of 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine (CID 158800629) is 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine.

What is the SMILES notation for 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

The canonical SMILES for 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine 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.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cncnc1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1csnn1.c1ncncn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

What is the InChIKey of 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

The InChIKey is ITLADHAVXALJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4N2.14C4H10.C3H3N3.2C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.4C2H2N2S/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;14*1-4(2)3;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;2*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;1-2-4-5-3-1/h1-5H;1-4H;14*4H,1-3H3;1-3H;2*1-3H,(H,4,5);3*1-3H;6*1-2H.

What are the key properties of 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine has a molecular weight of 1914.07 g/mol, XLogP of 30.77, 0 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 158800629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).