2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium

C192H246N31O14S4+ — CID 157364203

About 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium

2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium (PubChem CID 157364203) has the molecular formula C192H246N31O14S4+ and a molecular weight of 3340.55 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium.

Molecular Properties

• Compound Name: 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium
• PubChem CID: 157364203
• Molecular Formula: C192H246N31O14S4+
• Molecular Weight: 3340.55 g/mol
• Exact Mass: 3337.84
• IUPAC Name: 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1COc2ccccc2N1.O=C1CSc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1NC(=O)c2ccccc21.O=C1NCCc2ccccc21.O=C1NCc2ccccc21.O=C1Nc2ccccc2CO1.O=c1ccc2ccccc2[nH]1.S=C1NC(=S)c2ccccc21.c1cc2cc[nH]n2c1.c1cc[n+]2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccn2ncnc2c1.c1ccn2nnnc2c1
• InChI: InChI=1S/2C9H9NO.C9H7NO.2C9H7N.C8H6N2.2C8H7NO2.C8H5NO2.C8H7NOS.3C8H7NO.C8H5NS2.2C6H5N3.C6H4N2O.C6H4N2S.C6H6N2.C5H4N4.20C2H6/c11-9-8-4-2-1-3-7(8)5-6-10-9;2*11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)9-5-6-10-8;10-8-5-11-7-4-2-1-3-6(7)9-8;10-8-9-7-4-2-1-3-6(7)5-11-8;10-7-5-3-1-2-4-6(5)8(11)9-7;10-8-5-11-7-4-2-1-3-6(7)9-8;10-8-7-4-2-1-3-6(7)5-9-8;2*10-8-5-6-3-1-2-4-7(6)9-8;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-4-9-6(3-1)7-5-8-9;1-2-4-9-6(3-1)5-7-8-9;2*1-2-4-6-5(3-1)7-9-8-6;1-2-6-3-4-7-8(6)5-1;1-2-4-9-5(3-1)6-7-8-9;20*1-2/h2*1-4H,5-6H2,(H,10,11);1-6H,(H,10,11);2*1-7H;1-6H;2*1-4H,5H2,(H,9,10);1-4H,(H,9,10,11);1-4H,5H2,(H,9,10);3*1-4H,5H2,(H,9,10);1-4H,(H,9,10,11);2*1-5H;2*1-4H;1-5,7H;1-4H;20*1-2H3/p+1
• InChIKey: LUPHBNVQYGDGMB-UHFFFAOYSA-O
• XLogP: 45.88
• TPSA: 584.83 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3340.55
LogP ≤ 5	45.88
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium?

The IUPAC name of 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium (CID 157364203) is 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium.

What is the SMILES notation for 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium?

The canonical SMILES for 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1COc2ccccc2N1.O=C1CSc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=C1NC(=O)c2ccccc21.O=C1NCCc2ccccc21.O=C1NCc2ccccc21.O=C1Nc2ccccc2CO1.O=c1ccc2ccccc2[nH]1.S=C1NC(=S)c2ccccc21.c1cc2cc[nH]n2c1.c1cc[n+]2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccn2ncnc2c1.c1ccn2nnnc2c1.

What is the InChIKey of 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium?

The InChIKey is LUPHBNVQYGDGMB-UHFFFAOYSA-O. The full InChI is InChI=1S/2C9H9NO.C9H7NO.2C9H7N.C8H6N2.2C8H7NO2.C8H5NO2.C8H7NOS.3C8H7NO.C8H5NS2.2C6H5N3.C6H4N2O.C6H4N2S.C6H6N2.C5H4N4.20C2H6/c11-9-8-4-2-1-3-7(8)5-6-10-9;2*11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)9-5-6-10-8;10-8-5-11-7-4-2-1-3-6(7)9-8;10-8-9-7-4-2-1-3-6(7)5-11-8;10-7-5-3-1-2-4-6(5)8(11)9-7;10-8-5-11-7-4-2-1-3-6(7)9-8;10-8-7-4-2-1-3-6(7)5-9-8;2*10-8-5-6-3-1-2-4-7(6)9-8;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-4-9-6(3-1)7-5-8-9;1-2-4-9-6(3-1)5-7-8-9;2*1-2-4-6-5(3-1)7-9-8-6;1-2-6-3-4-7-8(6)5-1;1-2-4-9-5(3-1)6-7-8-9;20*1-2/h2*1-4H,5-6H2,(H,10,11);1-6H,(H,10,11);2*1-7H;1-6H;2*1-4H,5H2,(H,9,10);1-4H,(H,9,10,11);1-4H,5H2,(H,9,10);3*1-4H,5H2,(H,9,10);1-4H,(H,9,10,11);2*1-5H;2*1-4H;1-5,7H;1-4H;20*1-2H3/p+1.

What are the key properties of 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium?

2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium has a molecular weight of 3340.55 g/mol, XLogP of 45.88, 0 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1,3-benzothiadiazole;4H-1,4-benzothiazin-3-one;2,1,3-benzoxadiazole;4H-1,4-benzoxazin-3-one;1,4-dihydro-3,1-benzoxazin-2-one;bis(1,3-dihydroindol-2-one);2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-1H-quinolin-2-one;ethane;isoindole-1,3-dione;isoindole-1,3-dithione;isoquinoline;1H-pyrrolo[1,2-b]pyrazole;quinoline;1H-quinolin-2-one;quinoxaline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyridine;1H-triazolo[1,5-a]pyridin-8-ium is sourced from PubChem (CID 157364203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).