2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide

C12H14N4O2S — CID 95857505

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C12H14N4O2S/c1-15(2)11(17)7-16-12(18)8(13)6-9(14-16)10-4-3-5-19-10/h3-6H,7,13H2,1-2H3
InChIKeyJXUQLGBDNMTJEM-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.64
Rot. Bonds3

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 95857505) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID95857505
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C12H14N4O2S/c1-15(2)11(17)7-16-12(18)8(13)6-9(14-16)10-4-3-5-19-10/h3-6H,7,13H2,1-2H3
InChIKeyJXUQLGBDNMTJEM-UHFFFAOYSA-N
XLogP0.64
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 82467637
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CID 51591864
4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 51495033
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
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2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 46961075
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51589163
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide (CID 95857505) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is JXUQLGBDNMTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-15(2)11(17)7-16-12(18)8(13)6-9(14-16)10-4-3-5-19-10/h3-6H,7,13H2,1-2H3.
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 278.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 95857505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).