azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

C92H137N41O10S6 — CID 158058437

About azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (PubChem CID 158058437) has the molecular formula C92H137N41O10S6 and a molecular weight of 2169.79 g/mol. Its IUPAC name is azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 158058437
• Molecular Formula: C92H137N41O10S6
• Molecular Weight: 2169.79 g/mol
• Exact Mass: 2167.98
• IUPAC Name: azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
• SMILES: C1CCNC1.C1CCNCC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1COC1.C1COCCN1.O=S1(=O)CCNCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1
• InChI: InChI=1S/C5H11N.C5H5N.C5H10O.C4H10N2.3C4H4N2.C4H9NO2S.C4H9NO.C4H9N.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C3H7N.C3H6O.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c3*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;4*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;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-4-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h6H,1-5H2;1-5H;1-5H2;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;5H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;4H,1-3H2;1-3H2;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5)
• InChIKey: FKIVYYKYKLICKI-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 667.40 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 50
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.79
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

The IUPAC name of azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (CID 158058437) is azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is C1CCNC1.C1CCNCC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1COC1.C1COCCN1.O=S1(=O)CCNCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.

What is the InChIKey of azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

The InChIKey is FKIVYYKYKLICKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H5N.C5H10O.C4H10N2.3C4H4N2.C4H9NO2S.C4H9NO.C4H9N.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C3H7N.C3H6O.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c3*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;4*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;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-4-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h6H,1-5H2;1-5H;1-5H2;5-6H,1-4H2;3*1-4H;5H,1-4H2;5H,1-4H2;5H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;4H,1-3H2;1-3H2;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5).

What are the key properties of azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole has a molecular weight of 2169.79 g/mol, XLogP of 11.53, 0 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;furan;1H-imidazole;morpholine;1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,4-thiazinane 1,1-dioxide;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158058437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).