ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate

C20H20N4O6S — CID 121050186

IUPACethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)n1
InChIInChI=1S/C20H20N4O6S/c1-4-30-19(27)14-11-31-20(21-14)22-17(25)10-24-18(26)8-6-13(23-24)12-5-7-15(28-2)16(9-12)29-3/h5-9,11H,4,10H2,1-3H3,(H,21,22,25)
InChIKeyYKMWONGXLLMTKM-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.20
Rot. Bonds8

About ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 121050186) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID121050186
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC Nameethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)n1
InChIInChI=1S/C20H20N4O6S/c1-4-30-19(27)14-11-31-20(21-14)22-17(25)10-24-18(26)8-6-13(23-24)12-5-7-15(28-2)16(9-12)29-3/h5-9,11H,4,10H2,1-3H3,(H,21,22,25)
InChIKeyYKMWONGXLLMTKM-UHFFFAOYSA-N
XLogP2.20
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 121051376
ethyl 4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376352
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7659969
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
N-(4-butylphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659999
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7660007
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 3224540
ethyl 4-methyl-2-[[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 7662536
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate (CID 121050186) is ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)n1.
What is the InChIKey of ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is YKMWONGXLLMTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-4-30-19(27)14-11-31-20(21-14)22-17(25)10-24-18(26)8-6-13(23-24)12-5-7-15(28-2)16(9-12)29-3/h5-9,11H,4,10H2,1-3H3,(H,21,22,25).
What are the key properties of ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 444.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 121050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).