2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C165H139N55O2S2 — CID 159966842

About 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159966842) has the molecular formula C165H139N55O2S2 and a molecular weight of 2988.44 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 159966842
• Molecular Formula: C165H139N55O2S2
• Molecular Weight: 2988.44 g/mol
• Exact Mass: 2986.19
• IUPAC Name: 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
• SMILES: c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2nc[nH]c2c1.c1cnn2cccc2c1.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/3C8H7N.7C7H6N2.C7H5NO.C7H5NS.C7H9N.9C6H5N3.C6H4N2O.C6H4N2S.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;2*1-2-4-7-6(3-1)5-8-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4/h1-7H;2*1-6,9H;2*1-5,9H;1-6H;1-5H,(H,8,9);3*1-6H;2*1-5H;1,3,5H,2,4,6H2;1-5H;2*1-4H,(H,8,9);1-5H;2*1-4H,(H,7,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9)
• InChIKey: OEASLDGDTJJOGH-UHFFFAOYSA-N
• XLogP: 32.83
• TPSA: 682.85 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2988.44
LogP ≤ 5	32.83
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 159966842) is 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2nc[nH]c2c1.c1cnn2cccc2c1.c1ncc2[nH]cnc2n1.

What is the InChIKey of 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is OEASLDGDTJJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H7N.7C7H6N2.C7H5NO.C7H5NS.C7H9N.9C6H5N3.C6H4N2O.C6H4N2S.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;2*1-2-4-7-6(3-1)5-8-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4/h1-7H;2*1-6,9H;2*1-5,9H;1-6H;1-5H,(H,8,9);3*1-6H;2*1-5H;1,3,5H,2,4,6H2;1-5H;2*1-4H,(H,8,9);1-5H;2*1-4H,(H,7,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9).

What are the key properties of 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2988.44 g/mol, XLogP of 32.83, 0 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159966842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).