ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene

C107H221N15O2S3 — CID 159710586

About ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene

ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 159710586) has the molecular formula C107H221N15O2S3 and a molecular weight of 1846.25 g/mol. Its IUPAC name is ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 159710586
• Molecular Formula: C107H221N15O2S3
• Molecular Weight: 1846.25 g/mol
• Exact Mass: 1844.68
• IUPAC Name: ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cccn1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
• InChI: InChI=1S/C5H5N.2C4H6N2.3C4H4N2.C4H4S.2C3H3NO.2C3H3NS.22C2H6.11C2H4/c1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;33*1-2/h1-5H;2*2-4H,1H3;3*1-4H;1-4H;4*1-3H;22*1-2H3;11*1-2H2
• InChIKey: MYUANWBUNFDSPY-UHFFFAOYSA-N
• XLogP: 40.14
• TPSA: 203.71 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1846.25
LogP ≤ 5	40.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene (CID 159710586) is ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cccn1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.

What is the InChIKey of ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is MYUANWBUNFDSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H6N2.3C4H4N2.C4H4S.2C3H3NO.2C3H3NS.22C2H6.11C2H4/c1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;33*1-2/h1-5H;2*2-4H,1H3;3*1-4H;1-4H;4*1-3H;22*1-2H3;11*1-2H2.

What are the key properties of ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene?

ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1846.25 g/mol, XLogP of 40.14, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethene;1-methylimidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 159710586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).