2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide

C14H18N4O3S — CID 51591864

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C14H18N4O3S/c1-9(8-21-2)16-13(19)7-18-14(20)10(15)6-11(17-18)12-4-3-5-22-12/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyVGBQQULCCGKGPR-VIFPVBQESA-N
MW322.39 g/mol
LogP0.71
Rot. Bonds6

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 51591864) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID51591864
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C14H18N4O3S/c1-9(8-21-2)16-13(19)7-18-14(20)10(15)6-11(17-18)12-4-3-5-22-12/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyVGBQQULCCGKGPR-VIFPVBQESA-N
XLogP0.71
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
CID 16676541
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CID 46960778
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
CID 95857505
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961074
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51589163
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 46961075
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676603

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 51591864) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is VGBQQULCCGKGPR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(8-21-2)16-13(19)7-18-14(20)10(15)6-11(17-18)12-4-3-5-22-12/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)/t9-/m0/s1.
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 51591864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).