2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

C23H20N4O2S — CID 121050677

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3csc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C23H20N4O2S/c1-16-7-9-17(10-8-16)20-11-12-22(29)27(26-20)14-21(28)24-13-19-15-30-23(25-19)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,24,28)
InChIKeyMATKSZMMHXYLEK-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.66
Rot. Bonds6

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 121050677) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID121050677
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3csc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C23H20N4O2S/c1-16-7-9-17(10-8-16)20-11-12-22(29)27(26-20)14-21(28)24-13-19-15-30-23(25-19)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,24,28)
InChIKeyMATKSZMMHXYLEK-UHFFFAOYSA-N
XLogP3.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052137
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47865933
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 122278984
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (CID 121050677) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3csc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is MATKSZMMHXYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-16-7-9-17(10-8-16)20-11-12-22(29)27(26-20)14-21(28)24-13-19-15-30-23(25-19)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 121050677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).