cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole

C63H123N13O8S3 — CID 158042987

About cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole

cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole (PubChem CID 158042987) has the molecular formula C63H123N13O8S3 and a molecular weight of 1286.96 g/mol. Its IUPAC name is cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole.

Molecular Properties

• Compound Name: cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole
• PubChem CID: 158042987
• Molecular Formula: C63H123N13O8S3
• Molecular Weight: 1286.96 g/mol
• Exact Mass: 1285.88
• IUPAC Name: cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;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.O=S1(=O)C=CC=C1.O=c1[nH]cco1.[H]/N=C/C=NS.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1.c1cscn1
• InChI: InChI=1S/C5H8.C4H5N.C4H4O2S.C4H6O.2C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H3N3.C2H4N2S.12C2H6/c2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;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;1-2-4-5-3-1;3-1-2-4-5;12*1-2/h1-2H,3-5H2;1-5H;1-4H;1,3H,2,4H2;2*1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H,(H,3,4,5);1-3,5H;12*1-2H3/b;;;;;;;;;;;3-1+,4-2?
• InChIKey: FIOQILQENJSIDO-QHDMDHFISA-N
• XLogP: 19.84
• TPSA: 297.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 1
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1286.96
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The IUPAC name of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole (CID 158042987) is cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;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;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The canonical SMILES for cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;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.O=S1(=O)C=CC=C1.O=c1[nH]cco1.[H]/N=C/C=NS.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1.c1cscn1.

What is the InChIKey of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The InChIKey is FIOQILQENJSIDO-QHDMDHFISA-N. The full InChI is InChI=1S/C5H8.C4H5N.C4H4O2S.C4H6O.2C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H3N3.C2H4N2S.12C2H6/c2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;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;1-2-4-5-3-1;3-1-2-4-5;12*1-2/h1-2H,3-5H2;1-5H;1-4H;1,3H,2,4H2;2*1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H,(H,3,4,5);1-3,5H;12*1-2H3/b;;;;;;;;;;;3-1+,4-2?;;;;;;;;;;;;.

What are the key properties of cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole has a molecular weight of 1286.96 g/mol, XLogP of 19.84, 1 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole is sourced from PubChem (CID 158042987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).