3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide

C12H8N2O2S — CID 125491611

IUPAC3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccccn2)c2ccccc21
InChIInChI=1S/C12H8N2O2S/c15-17(16)11-7-2-1-5-9(11)12(14-17)10-6-3-4-8-13-10/h1-8H
InChIKeyODGSJXYIQJWOFR-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.62
Rot. Bonds1

About 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide

3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide (PubChem CID 125491611) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide
PubChem CID125491611
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccccn2)c2ccccc21
InChIInChI=1S/C12H8N2O2S/c15-17(16)11-7-2-1-5-9(11)12(14-17)10-6-3-4-8-13-10/h1-8H
InChIKeyODGSJXYIQJWOFR-UHFFFAOYSA-N
XLogP1.62
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium 1,1-dioxo-1,2-benzothiazol-3-olate
CID 23694166
2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine
CID 143438490
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
3-[4-(2-methoxyethoxy)-3,5-dimethylphenyl]-1,2-benzothiazole 1,1-dioxide
CID 70506744
(1,1-dioxo-1,2-benzothiazol-3-yl)oxyboronic acid
CID 164680331
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide (CID 125491611) is 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(c2ccccn2)c2ccccc21.
What is the InChIKey of 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide?
The InChIKey is ODGSJXYIQJWOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-17(16)11-7-2-1-5-9(11)12(14-17)10-6-3-4-8-13-10/h1-8H.
What are the key properties of 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide?
3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide has a molecular weight of 244.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 125491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).