[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

C21H17N5O5S — CID 46628801

IUPAC[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Nc1cccc2nsnc12
InChIInChI=1S/C21H17N5O5S/c27-18(22-15-7-4-8-16-20(15)25-32-24-16)13-31-21(29)17-9-10-19(28)26(23-17)11-12-30-14-5-2-1-3-6-14/h1-10H,11-13H2,(H,22,27)
InChIKeyHIZDYGBGHJOIKB-UHFFFAOYSA-N
MW451.46 g/mol
LogP2.12
Rot. Bonds8

About [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (PubChem CID 46628801) has the molecular formula C21H17N5O5S and a molecular weight of 451.46 g/mol. Its IUPAC name is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
PubChem CID46628801
Molecular FormulaC21H17N5O5S
Molecular Weight451.46 g/mol
Exact Mass451.10
IUPAC Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Nc1cccc2nsnc12
InChIInChI=1S/C21H17N5O5S/c27-18(22-15-7-4-8-16-20(15)25-32-24-16)13-31-21(29)17-9-10-19(28)26(23-17)11-12-30-14-5-2-1-3-6-14/h1-10H,11-13H2,(H,22,27)
InChIKeyHIZDYGBGHJOIKB-UHFFFAOYSA-N
XLogP2.12
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27426793
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628786
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 4851125
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27427785
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 61027525
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 16539755
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-phenylacetate
CID 7874873
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615736
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 16502863
[2-(N-ethylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628831

Frequently Asked Questions

What is the IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (CID 46628801) is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.
What is the SMILES notation for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The canonical SMILES for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is O=C(COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Nc1cccc2nsnc12.
What is the InChIKey of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The InChIKey is HIZDYGBGHJOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O5S/c27-18(22-15-7-4-8-16-20(15)25-32-24-16)13-31-21(29)17-9-10-19(28)26(23-17)11-12-30-14-5-2-1-3-6-14/h1-10H,11-13H2,(H,22,27).
What are the key properties of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate has a molecular weight of 451.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 46628801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).