2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C15H18N4O3S — CID 51589163

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NC[C@H]2CCCO2)c1=O
InChIInChI=1S/C15H18N4O3S/c16-11-7-12(13-4-2-6-23-13)18-19(15(11)21)9-14(20)17-8-10-3-1-5-22-10/h2,4,6-7,10H,1,3,5,8-9,16H2,(H,17,20)/t10-/m1/s1
InChIKeyOWQFGRBJHCYFMF-SNVBAGLBSA-N
MW334.40 g/mol
LogP0.85
Rot. Bonds5

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 51589163) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID51589163
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NC[C@H]2CCCO2)c1=O
InChIInChI=1S/C15H18N4O3S/c16-11-7-12(13-4-2-6-23-13)18-19(15(11)21)9-14(20)17-8-10-3-1-5-22-10/h2,4,6-7,10H,1,3,5,8-9,16H2,(H,17,20)/t10-/m1/s1
InChIKeyOWQFGRBJHCYFMF-SNVBAGLBSA-N
XLogP0.85
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20884311
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-[(3-fluorophenyl)methyl]acetamide
CID 16676551
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
CID 16676541
N-[[(2R)-oxolan-2-yl]methyl]-2-(6-oxo-11-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 92883486
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,N-dimethylacetamide
CID 95857505
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-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]acetamide
CID 51493146
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961074
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
N-[[(2S)-oxolan-2-yl]methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9266565

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 51589163) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Nc1cc(-c2cccs2)nn(CC(=O)NC[C@H]2CCCO2)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is OWQFGRBJHCYFMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-11-7-12(13-4-2-6-23-13)18-19(15(11)21)9-14(20)17-8-10-3-1-5-22-10/h2,4,6-7,10H,1,3,5,8-9,16H2,(H,17,20)/t10-/m1/s1.
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 0.85, 5 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-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 51589163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).