N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

C17H12N6O2S — CID 121052487

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1cccc2nsnc12
InChIInChI=1S/C17H12N6O2S/c24-15(19-13-4-1-5-14-17(13)22-26-21-14)10-23-16(25)7-6-12(20-23)11-3-2-8-18-9-11/h1-9H,10H2,(H,19,24)
InChIKeyZEVATQSETZBSFE-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.95
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (PubChem CID 121052487) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
PubChem CID121052487
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1cccc2nsnc12
InChIInChI=1S/C17H12N6O2S/c24-15(19-13-4-1-5-14-17(13)22-26-21-14)10-23-16(25)7-6-12(20-23)11-3-2-8-18-9-11/h1-9H,10H2,(H,19,24)
InChIKeyZEVATQSETZBSFE-UHFFFAOYSA-N
XLogP1.95
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 121052528
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-(1,2-oxazol-3-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052475
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052464
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052428
N-(3-chloro-4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052405

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (CID 121052487) is N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The InChIKey is ZEVATQSETZBSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2S/c24-15(19-13-4-1-5-14-17(13)22-26-21-14)10-23-16(25)7-6-12(20-23)11-3-2-8-18-9-11/h1-9H,10H2,(H,19,24).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide has a molecular weight of 364.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).