2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H16N4O3S — CID 71830904

IUPAC2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccccc1
InChIInChI=1S/C17H16N4O3S/c1-11-10-25-17(18-11)19-14(22)9-21-15(23)8-13(24-2)16(20-21)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,18,19,22)
InChIKeyLEYQAVKIAYQOPE-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71830904) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71830904
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccccc1
InChIInChI=1S/C17H16N4O3S/c1-11-10-25-17(18-11)19-14(22)9-21-15(23)8-13(24-2)16(20-21)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,18,19,22)
InChIKeyLEYQAVKIAYQOPE-UHFFFAOYSA-N
XLogP2.32
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830886
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1169409
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
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 71830904) is 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LEYQAVKIAYQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-10-25-17(18-11)19-14(22)9-21-15(23)8-13(24-2)16(20-21)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,18,19,22).
What are the key properties of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 356.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).