ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C21H22N4O5S — CID 41376383

IUPACethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(-c3ccc(OCC)cc3)ccc2=O)n1
InChIInChI=1S/C21H22N4O5S/c1-3-29-16-7-5-14(6-8-16)17-9-10-19(27)25(24-17)12-18(26)23-21-22-15(13-31-21)11-20(28)30-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,26)
InChIKeyJRMMOMDZJFXHMS-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.51
Rot. Bonds9

About ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 41376383) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID41376383
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Nameethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(-c3ccc(OCC)cc3)ccc2=O)n1
InChIInChI=1S/C21H22N4O5S/c1-3-29-16-7-5-14(6-8-16)17-9-10-19(27)25(24-17)12-18(26)23-21-22-15(13-31-21)11-20(28)30-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,26)
InChIKeyJRMMOMDZJFXHMS-UHFFFAOYSA-N
XLogP2.51
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376655
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514
ethyl 2-[2-[[2-[3-[(4-methylphenyl)carbamoyl]-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41247808
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7662212
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121050018
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
ethyl 2-[2-[[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 1169416
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7660100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 41376383) is ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(-c3ccc(OCC)cc3)ccc2=O)n1.
What is the InChIKey of ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JRMMOMDZJFXHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-3-29-16-7-5-14(6-8-16)17-9-10-19(27)25(24-17)12-18(26)23-21-22-15(13-31-21)11-20(28)30-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,26).
What are the key properties of ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 442.50 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 41376383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).