2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide

C27H28N4O6S — CID 121052303

IUPAC2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCCc3csc(-c4ccc(OC)c(OC)c4)n3)n2)c1
InChIInChI=1S/C27H28N4O6S/c1-34-19-6-9-22(35-2)20(14-19)21-7-10-26(33)31(30-21)15-25(32)28-12-11-18-16-38-27(29-18)17-5-8-23(36-3)24(13-17)37-4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,28,32)
InChIKeyJGFAAICQZFXPJQ-UHFFFAOYSA-N
MW536.61 g/mol
LogP3.43
Rot. Bonds11

About 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide

2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 121052303) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID121052303
Molecular FormulaC27H28N4O6S
Molecular Weight536.61 g/mol
Exact Mass536.17
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCCc3csc(-c4ccc(OC)c(OC)c4)n3)n2)c1
InChIInChI=1S/C27H28N4O6S/c1-34-19-6-9-22(35-2)20(14-19)21-7-10-26(33)31(30-21)15-25(32)28-12-11-18-16-38-27(29-18)17-5-8-23(36-3)24(13-17)37-4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,28,32)
InChIKeyJGFAAICQZFXPJQ-UHFFFAOYSA-N
XLogP3.43
TPSA113.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051990
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052817
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064088
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 121050192
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052137
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517425
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 51044533
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076426
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671843

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 121052303) is 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide is COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCCc3csc(-c4ccc(OC)c(OC)c4)n3)n2)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is JGFAAICQZFXPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c1-34-19-6-9-22(35-2)20(14-19)21-7-10-26(33)31(30-21)15-25(32)28-12-11-18-16-38-27(29-18)17-5-8-23(36-3)24(13-17)37-4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,28,32).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 536.61 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 121052303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).