N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C16H14N4O2S — CID 121050128

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sn1
InChIInChI=1S/C16H14N4O2S/c1-11-9-15(23-19-11)17-14(21)10-20-16(22)8-7-13(18-20)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,21)
InChIKeyUGZYAJWWIQYMEC-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.31
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 121050128) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID121050128
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sn1
InChIInChI=1S/C16H14N4O2S/c1-11-9-15(23-19-11)17-14(21)10-20-16(22)8-7-13(18-20)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,21)
InChIKeyUGZYAJWWIQYMEC-UHFFFAOYSA-N
XLogP2.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063696
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51127361
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050081
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872759
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 121050128) is N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is UGZYAJWWIQYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-9-15(23-19-11)17-14(21)10-20-16(22)8-7-13(18-20)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121050128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).