4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

C16H20N4O2S — CID 51495033

IUPAC4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESC[C@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C16H20N4O2S/c1-11-5-2-3-7-19(11)15(21)10-20-16(22)12(17)9-13(18-20)14-6-4-8-23-14/h4,6,8-9,11H,2-3,5,7,10,17H2,1H3/t11-/m0/s1
InChIKeyQKVIYTLXRYIJKG-NSHDSACASA-N
MW332.43 g/mol
LogP1.96
Rot. Bonds3

About 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 51495033) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID51495033
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESC[C@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C16H20N4O2S/c1-11-5-2-3-7-19(11)15(21)10-20-16(22)12(17)9-13(18-20)14-6-4-8-23-14/h4,6,8-9,11H,2-3,5,7,10,17H2,1H3/t11-/m0/s1
InChIKeyQKVIYTLXRYIJKG-NSHDSACASA-N
XLogP1.96
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one with MolForge

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Related Compounds

4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676603
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
CID 95857505
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 26384005
4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 51496325
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]acetamide
CID 51493146
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51589163
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
1-(2-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906301
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
CID 16676541
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 16676552
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (CID 51495033) is 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is C[C@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is QKVIYTLXRYIJKG-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-5-2-3-7-19(11)15(21)10-20-16(22)12(17)9-13(18-20)14-6-4-8-23-14/h4,6,8-9,11H,2-3,5,7,10,17H2,1H3/t11-/m0/s1.
What are the key properties of 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 332.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 51495033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).