N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C23H20N4O3S — CID 55896488

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1
InChIInChI=1S/C23H20N4O3S/c1-2-30-20-11-7-6-10-17(20)19-15-31-23(24-19)25-21(28)14-27-22(29)13-12-18(26-27)16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,24,25,28)
InChIKeyYVQYSJKCTYTADO-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.07
Rot. Bonds7

About N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55896488) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55896488
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1
InChIInChI=1S/C23H20N4O3S/c1-2-30-20-11-7-6-10-17(20)19-15-31-23(24-19)25-21(28)14-27-22(29)13-12-18(26-27)16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,24,25,28)
InChIKeyYVQYSJKCTYTADO-UHFFFAOYSA-N
XLogP4.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 53367933
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376383
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 121051376
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55896488) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCOc1ccccc1-c1csc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is YVQYSJKCTYTADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-2-30-20-11-7-6-10-17(20)19-15-31-23(24-19)25-21(28)14-27-22(29)13-12-18(26-27)16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 432.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55896488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).