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

C24H22N4O2S — CID 121050686

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3csc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C24H22N4O2S/c1-17-7-9-18(10-8-17)21-11-12-23(30)28(27-21)15-22(29)25-14-13-20-16-31-24(26-20)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,25,29)
InChIKeyQNWZEBVICRZCEQ-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.70
Rot. Bonds7

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

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 121050686) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID121050686
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3csc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C24H22N4O2S/c1-17-7-9-18(10-8-17)21-11-12-23(30)28(27-21)15-22(29)25-14-13-20-16-31-24(26-20)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,25,29)
InChIKeyQNWZEBVICRZCEQ-UHFFFAOYSA-N
XLogP3.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
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-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051990
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55824864
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 52904226
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-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121052303
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 121050686) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCc3csc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is QNWZEBVICRZCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-17-7-9-18(10-8-17)21-11-12-23(30)28(27-21)15-22(29)25-14-13-20-16-31-24(26-20)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,25,29).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 3.70, 7 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-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 121050686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).