azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene

C215H494N22O7S4 — CID 157177030

IUPACazetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene
SMILESC1=CCOC=C1.C1=CNNC=C1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1COCN1.C1CSCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cscn1.c1csnn1
InChIInChI=1S/C5H11N.C5H5N.C5H10O.C5H6O.C5H10.C4H10N2.C4H6N2.C4H9NO.C4H9N.C4H5N.C4H8O.C4H4O.C4H4S.22C4H10.C3H8N2.2C3H4N2.C3H7NO.C3H3NO.C3H7NS.C3H3NS.C3H7N.C2H2N2S.22C2H6/c4*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;5*1-2-4-5-3-1;22*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-3-1;1-2-5-4-3-1;22*1-2/h6H,1-5H2;1-5H;1-5H2;1-4H,5H2;1-5H2;5-6H,1-4H2;1-6H;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;2*1-4H;22*4H,1-3H3;4-5H,1-3H2;2*1-3H,(H,4,5);4H,1-3H2;1-3H;4H,1-3H2;1-3H;4H,1-3H2;1-2H;22*1-2H3
InChIKeyAOCZHTBASMHFDY-UHFFFAOYSA-N
MW3628.73 g/mol
LogP71.46
Rot. Bonds

About azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene

azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene (PubChem CID 157177030) has the molecular formula C215H494N22O7S4 and a molecular weight of 3628.73 g/mol. Its IUPAC name is azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene.

Molecular Properties

Compound Nameazetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene
PubChem CID157177030
Molecular FormulaC215H494N22O7S4
Molecular Weight3628.73 g/mol
Exact Mass3625.79
IUPAC Nameazetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene
SMILESC1=CCOC=C1.C1=CNNC=C1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1COCN1.C1CSCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cscn1.c1csnn1
InChIInChI=1S/C5H11N.C5H5N.C5H10O.C5H6O.C5H10.C4H10N2.C4H6N2.C4H9NO.C4H9N.C4H5N.C4H8O.C4H4O.C4H4S.22C4H10.C3H8N2.2C3H4N2.C3H7NO.C3H3NO.C3H7NS.C3H3NS.C3H7N.C2H2N2S.22C2H6/c4*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;5*1-2-4-5-3-1;22*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-3-1;1-2-5-4-3-1;22*1-2/h6H,1-5H2;1-5H;1-5H2;1-4H,5H2;1-5H2;5-6H,1-4H2;1-6H;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;2*1-4H;22*4H,1-3H3;4-5H,1-3H2;2*1-3H,(H,4,5);4H,1-3H2;1-3H;4H,1-3H2;1-3H;4H,1-3H2;1-2H;22*1-2H3
InChIKeyAOCZHTBASMHFDY-UHFFFAOYSA-N
XLogP71.46
TPSA354.39 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003628.73
LogP ≤ 571.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene with MolForge

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Related Compounds

ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
furan;1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157126387
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157148408
benzene;cyclobutane;cyclohexa-2,4-dien-1-one;cyclohexane;cyclopentane;cyclopropane;furan;1H-imidazole;methylcyclopropane;morpholine;1,2-oxazole;1,3-oxazole;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2-thiazole;1,3-thiazole;thiophene
CID 157243663
bis(2,3-dimethylfuran);bis(1,2-dimethylimidazole);bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,2-dimethylpiperazine);2,3-dimethylpyrazine;bis(4,5-dimethyl-1H-pyrazole);bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);tetrakis(2,3-dimethyl-1H-pyrrole);bis(4,5-dimethyl-1,2,3,6-tetrahydropyridine);5,6-dimethyl-1,2,3,4-tetrahydropyridine;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);methane;1,2-xylene
CID 157256917
ethane;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157263132
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157269205
benzene;cyclohexa-2,4-dien-1-one;furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157277637
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-ylpyrazine);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157292200
furan;1H-imidazole;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157308323

Frequently Asked Questions

What is the IUPAC name of azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene?
The IUPAC name of azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene (CID 157177030) is azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene.
What is the SMILES notation for azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene?
The canonical SMILES for azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene is C1=CCOC=C1.C1=CNNC=C1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1COCN1.C1CSCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cscn1.c1csnn1.
What is the InChIKey of azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene?
The InChIKey is AOCZHTBASMHFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H5N.C5H10O.C5H6O.C5H10.C4H10N2.C4H6N2.C4H9NO.C4H9N.C4H5N.C4H8O.C4H4O.C4H4S.22C4H10.C3H8N2.2C3H4N2.C3H7NO.C3H3NO.C3H7NS.C3H3NS.C3H7N.C2H2N2S.22C2H6/c4*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;1-3-6-4-2-5-1;5*1-2-4-5-3-1;22*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-3-1;1-2-5-4-3-1;22*1-2/h6H,1-5H2;1-5H;1-5H2;1-4H,5H2;1-5H2;5-6H,1-4H2;1-6H;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;2*1-4H;22*4H,1-3H3;4-5H,1-3H2;2*1-3H,(H,4,5);4H,1-3H2;1-3H;4H,1-3H2;1-3H;4H,1-3H2;1-2H;22*1-2H3.
What are the key properties of azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene?
azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene has a molecular weight of 3628.73 g/mol, XLogP of 71.46, 0 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene is sourced from PubChem (CID 157177030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).