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

C60H116N10O7S3 — CID 159849164

IUPACcyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide
SMILESC1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.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.c1cn[nH]c1.c1cscn1
InChIInChI=1S/C5H8.C5H6.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NS.C3H4O2.C2H4N2S.11C2H6/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;2*1-2-4-5-3-1;5-3-4-1-2-6-3;2*1-2-5-3-4-1;3-1-2-4-5;11*1-2/h1-2H,3-5H2;1-4H,5H2;1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);1-3H;1-2H,3H2;1-3,5H;11*1-2H3/b;;;;;;;;;;3-1+,4-2?;;;;;;;;;;;
InChIKeyNPRYPIDCIIPKDV-SGRRXKOZSA-N
MW1185.85 g/mol
LogP19.79
Rot. Bonds1

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

cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide (PubChem CID 159849164) has the molecular formula C60H116N10O7S3 and a molecular weight of 1185.85 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide
PubChem CID159849164
Molecular FormulaC60H116N10O7S3
Molecular Weight1185.85 g/mol
Exact Mass1184.82
IUPAC Namecyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide
SMILESC1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.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.c1cn[nH]c1.c1cscn1
InChIInChI=1S/C5H8.C5H6.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NS.C3H4O2.C2H4N2S.11C2H6/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;2*1-2-4-5-3-1;5-3-4-1-2-6-3;2*1-2-5-3-4-1;3-1-2-4-5;11*1-2/h1-2H,3-5H2;1-4H,5H2;1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);1-3H;1-2H,3H2;1-3,5H;11*1-2H3/b;;;;;;;;;;3-1+,4-2?;;;;;;;;;;;
InChIKeyNPRYPIDCIIPKDV-SGRRXKOZSA-N
XLogP19.79
TPSA239.01 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.85
LogP ≤ 519.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

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'}

Analyze cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide with MolForge

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Related Compounds

cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide
CID 157471009
cyclopenta-1,3-diene;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;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide
CID 159378512
cyclopenta-1,3-diene;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;thiophene 1,1-dioxide
CID 159583589
cyclopenta-1,3-diene;1,3-dihydropyrrol-2-one;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1H-pyrazole;3H-pyrazole;thiophene 1,1-dioxide
CID 159901685
cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide
CID 161927895
cyclopenta-1,3-diene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;thiophene 1,1-dioxide
CID 161945753

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide?
The IUPAC name of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide (CID 159849164) is cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide is C1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.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.c1cn[nH]c1.c1cscn1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide?
The InChIKey is NPRYPIDCIIPKDV-SGRRXKOZSA-N. The full InChI is InChI=1S/C5H8.C5H6.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NS.C3H4O2.C2H4N2S.11C2H6/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;2*1-2-4-5-3-1;5-3-4-1-2-6-3;2*1-2-5-3-4-1;3-1-2-4-5;11*1-2/h1-2H,3-5H2;1-4H,5H2;1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);1-3H;1-2H,3H2;1-3,5H;11*1-2H3/b;;;;;;;;;;3-1+,4-2?;;;;;;;;;;;.
What are the key properties of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide?
cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide has a molecular weight of 1185.85 g/mol, XLogP of 19.79, 1 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,3-thiazole;thiophene 1,1-dioxide is sourced from PubChem (CID 159849164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).