1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole

C52H101N13O3S4 — CID 159190259

About 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole

1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole (PubChem CID 159190259) has the molecular formula C52H101N13O3S4 and a molecular weight of 1084.74 g/mol. Its IUPAC name is 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

• Compound Name: 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
• PubChem CID: 159190259
• Molecular Formula: C52H101N13O3S4
• Molecular Weight: 1084.74 g/mol
• Exact Mass: 1083.70
• IUPAC Name: 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-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.c1c[nH]cn1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/8C4H10.C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c8*1-4(2)3;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/h8*4H,1-3H3;1-3H,(H,4,5);3*1-3H;4*1-2H
• InChIKey: KNZMRBJJNQAERA-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 209.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1084.74
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The IUPAC name of 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole (CID 159190259) is 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole.

What is the SMILES notation for 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The canonical SMILES for 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-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.c1c[nH]cn1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

What is the InChIKey of 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The InChIKey is KNZMRBJJNQAERA-UHFFFAOYSA-N. The full InChI is InChI=1S/8C4H10.C3H4N2.C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c8*1-4(2)3;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/h8*4H,1-3H3;1-3H,(H,4,5);3*1-3H;4*1-2H.

What are the key properties of 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1084.74 g/mol, XLogP of 17.88, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 159190259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).