ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C24H27N5O4S — CID 41376655

IUPACethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(-c3ccc(N4CCCCC4)cc3)ccc2=O)n1
InChIInChI=1S/C24H27N5O4S/c1-2-33-23(32)14-18-16-34-24(25-18)26-21(30)15-29-22(31)11-10-20(27-29)17-6-8-19(9-7-17)28-12-4-3-5-13-28/h6-11,16H,2-5,12-15H2,1H3,(H,25,26,30)
InChIKeyBUQAOJQAHSVNMR-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.10
Rot. Bonds8

About ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 41376655) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID41376655
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Nameethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(-c3ccc(N4CCCCC4)cc3)ccc2=O)n1
InChIInChI=1S/C24H27N5O4S/c1-2-33-23(32)14-18-16-34-24(25-18)26-21(30)15-29-22(31)11-10-20(27-29)17-6-8-19(9-7-17)28-12-4-3-5-13-28/h6-11,16H,2-5,12-15H2,1H3,(H,25,26,30)
InChIKeyBUQAOJQAHSVNMR-UHFFFAOYSA-N
XLogP3.10
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376383
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-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376654
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376649
ethyl 2-[2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7672383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 41376655) is ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(-c3ccc(N4CCCCC4)cc3)ccc2=O)n1.
What is the InChIKey of ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is BUQAOJQAHSVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-2-33-23(32)14-18-16-34-24(25-18)26-21(30)15-29-22(31)11-10-20(27-29)17-6-8-19(9-7-17)28-12-4-3-5-13-28/h6-11,16H,2-5,12-15H2,1H3,(H,25,26,30).
What are the key properties of ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 481.58 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 41376655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).