2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium

C50H44N17O3S2Y- — CID 158513340

About 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium

2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium (PubChem CID 158513340) has the molecular formula C50H44N17O3S2Y- and a molecular weight of 1084.06 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium.

Molecular Properties

• Compound Name: 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium
• PubChem CID: 158513340
• Molecular Formula: C50H44N17O3S2Y-
• Molecular Weight: 1084.06 g/mol
• Exact Mass: 1083.23
• IUPAC Name: 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium
• SMILES: [Y].c1c[n-]cn1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nsnc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1nnco1
• InChI: InChI=1S/C9H7N.C8H6N2.C6H4N2S.C5H5N.2C4H4N2.C3H3N2.2C3H3NO.C3H3NS.C2H2N2O.Y/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;/h1-7H;1-6H;1-4H;1-5H;2*1-4H;4*1-3H;1-2H;/q;;;;;;-1
• InChIKey: UISOMKDCRRTHQW-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 259.76 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1084.06
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

The IUPAC name of 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium (CID 158513340) is 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium.

What is the SMILES notation for 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

The canonical SMILES for 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium is [Y].c1c[n-]cn1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nsnc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1nnco1.

What is the InChIKey of 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

The InChIKey is UISOMKDCRRTHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.C6H4N2S.C5H5N.2C4H4N2.C3H3N2.2C3H3NO.C3H3NS.C2H2N2O.Y/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;/h1-7H;1-6H;1-4H;1-5H;2*1-4H;4*1-3H;1-2H;/q;;;;;;-1;;;;;.

What are the key properties of 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium has a molecular weight of 1084.06 g/mol, XLogP of 10.19, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1,3-benzothiadiazole;imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium is sourced from PubChem (CID 158513340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).