1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene

C38H42N14O2S4 — CID 159894348

About 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene

1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene (PubChem CID 159894348) has the molecular formula C38H42N14O2S4 and a molecular weight of 855.12 g/mol. Its IUPAC name is 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene.

Molecular Properties

• Compound Name: 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene
• PubChem CID: 159894348
• Molecular Formula: C38H42N14O2S4
• Molecular Weight: 855.12 g/mol
• Exact Mass: 854.25
• IUPAC Name: 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene
• SMILES: C1=CCN=C1.Cn1cccn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccsc1.c1cscn1.c1cscn1.c1ncon1.c1ncon1.c1nncs1
• InChI: InChI=1S/2C5H5N.C4H6N2.2C4H5N.C4H4S.2C3H3NS.2C2H2N2O.C2H2N2S/c2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;3*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2-5-4-1;1-3-4-2-5-1/h2*1-5H;2-4H,1H3;1-3H,4H2;1-5H;1-4H;2*1-3H;3*1-2H
• InChIKey: NVDPNXSTJOLAOH-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 201.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.12
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene?

The IUPAC name of 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene (CID 159894348) is 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene.

What is the SMILES notation for 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene?

The canonical SMILES for 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene is C1=CCN=C1.Cn1cccn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccsc1.c1cscn1.c1cscn1.c1ncon1.c1ncon1.c1nncs1.

What is the InChIKey of 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene?

The InChIKey is NVDPNXSTJOLAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.C4H6N2.2C4H5N.C4H4S.2C3H3NS.2C2H2N2O.C2H2N2S/c2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;3*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2-5-4-1;1-3-4-2-5-1/h2*1-5H;2-4H,1H3;1-3H,4H2;1-5H;1-4H;2*1-3H;3*1-2H.

What are the key properties of 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene?

1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene has a molecular weight of 855.12 g/mol, XLogP of 8.94, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene is sourced from PubChem (CID 159894348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).