cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole

C68H133N15O9S3 — CID 159645926

About cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole

cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole (PubChem CID 159645926) has the molecular formula C68H133N15O9S3 and a molecular weight of 1401.11 g/mol. Its IUPAC name is cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole.

Molecular Properties

• Compound Name: cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole
• PubChem CID: 159645926
• Molecular Formula: C68H133N15O9S3
• Molecular Weight: 1401.11 g/mol
• Exact Mass: 1399.96
• IUPAC Name: cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole
• SMILES: C1=CCCC1.C1=COCC1.C1=COCO1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1NCCN1.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnsn1.c1cocn1.c1cscn1
• InChI: InChI=1S/C5H8.C4H5N.C4H4O2S.C4H6O.C3H6N2O.2C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H3N3.C2H2N2S.13C2H6/c2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;5-3-4-1-2-6-3;3*1-2-5-3-4-1;2*1-2-4-5-3-1;13*1-2/h1-2H,3-5H2;1-5H;1-4H;1,3H,2,4H2;1-2H2,(H2,4,5,6);2*1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H,(H,3,4,5);1-2H;13*1-2H3
• InChIKey: MQYNBRCTUVQSMF-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 328.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1401.11
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The IUPAC name of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole (CID 159645926) is cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole.

What is the SMILES notation for cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The canonical SMILES for cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole is C1=CCCC1.C1=COCC1.C1=COCO1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1NCCN1.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnsn1.c1cocn1.c1cscn1.

What is the InChIKey of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The InChIKey is MQYNBRCTUVQSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C4H5N.C4H4O2S.C4H6O.C3H6N2O.2C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H3N3.C2H2N2S.13C2H6/c2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;5-3-4-1-2-6-3;3*1-2-5-3-4-1;2*1-2-4-5-3-1;13*1-2/h1-2H,3-5H2;1-5H;1-4H;1,3H,2,4H2;1-2H2,(H2,4,5,6);2*1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H,(H,3,4,5);1-2H;13*1-2H3.

What are the key properties of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole has a molecular weight of 1401.11 g/mol, XLogP of 20.15, 0 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole is sourced from PubChem (CID 159645926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).