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

C22H15F3N4O2S — CID 55829629

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C22H15F3N4O2S/c23-22(24,25)16-8-4-7-15(11-16)18-13-32-21(26-18)27-19(30)12-29-20(31)10-9-17(28-29)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,26,27,30)
InChIKeyYYCPKZWFHCWFJQ-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.69
Rot. Bonds5

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

2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55829629) has the molecular formula C22H15F3N4O2S and a molecular weight of 456.45 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID55829629
Molecular FormulaC22H15F3N4O2S
Molecular Weight456.45 g/mol
Exact Mass456.09
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C22H15F3N4O2S/c23-22(24,25)16-8-4-7-15(11-16)18-13-32-21(26-18)27-19(30)12-29-20(31)10-9-17(28-29)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,26,27,30)
InChIKeyYYCPKZWFHCWFJQ-UHFFFAOYSA-N
XLogP4.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55585663
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55896488
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 53367933
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 41376282

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 55829629) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YYCPKZWFHCWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2S/c23-22(24,25)16-8-4-7-15(11-16)18-13-32-21(26-18)27-19(30)12-29-20(31)10-9-17(28-29)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,26,27,30).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 456.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55829629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).