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

C18H13N5O2S — CID 121050081

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cccc2nsnc12
InChIInChI=1S/C18H13N5O2S/c24-16(19-14-7-4-8-15-18(14)22-26-21-15)11-23-17(25)10-9-13(20-23)12-5-2-1-3-6-12/h1-10H,11H2,(H,19,24)
InChIKeyDBHXRUPJEACKAJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.55
Rot. Bonds4

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

N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 121050081) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID121050081
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cccc2nsnc12
InChIInChI=1S/C18H13N5O2S/c24-16(19-14-7-4-8-15-18(14)22-26-21-15)11-23-17(25)10-9-13(20-23)12-5-2-1-3-6-12/h1-10H,11H2,(H,19,24)
InChIKeyDBHXRUPJEACKAJ-UHFFFAOYSA-N
XLogP2.55
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052487
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872759
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050128
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628801
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063780
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 121050081) is N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is DBHXRUPJEACKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c24-16(19-14-7-4-8-15-18(14)22-26-21-15)11-23-17(25)10-9-13(20-23)12-5-2-1-3-6-12/h1-10H,11H2,(H,19,24).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121050081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).