2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C20H16N6O4S2 — CID 121052518

IUPAC2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H16N6O4S2/c27-18(13-26-19(28)8-7-17(24-26)14-2-1-9-21-12-14)23-15-3-5-16(6-4-15)32(29,30)25-20-22-10-11-31-20/h1-12H,13H2,(H,22,25)(H,23,27)
InChIKeyOILAKULUOPWPOO-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.20
Rot. Bonds7

About 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 121052518) has the molecular formula C20H16N6O4S2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID121052518
Molecular FormulaC20H16N6O4S2
Molecular Weight468.52 g/mol
Exact Mass468.07
IUPAC Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H16N6O4S2/c27-18(13-26-19(28)8-7-17(24-26)14-2-1-9-21-12-14)23-15-3-5-16(6-4-15)32(29,30)25-20-22-10-11-31-20/h1-12H,13H2,(H,22,25)(H,23,27)
InChIKeyOILAKULUOPWPOO-UHFFFAOYSA-N
XLogP2.20
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052762
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792
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
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121064432
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 19530453
N-(3-chloro-4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052405
N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052428
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052571

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 121052518) is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is OILAKULUOPWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O4S2/c27-18(13-26-19(28)8-7-17(24-26)14-2-1-9-21-12-14)23-15-3-5-16(6-4-15)32(29,30)25-20-22-10-11-31-20/h1-12H,13H2,(H,22,25)(H,23,27).
What are the key properties of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 468.52 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 121052518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).