N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C16H14N4O3S — CID 7256626

IUPACN-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C16H14N4O3S/c1-23-12-7-5-11(6-8-12)17-14(21)10-24-15-18-13-4-2-3-9-20(13)16(22)19-15/h2-9H,10H2,1H3,(H,17,21)
InChIKeyICBDRYUATNNPSM-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.83
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256626) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256626
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C16H14N4O3S/c1-23-12-7-5-11(6-8-12)17-14(21)10-24-15-18-13-4-2-3-9-20(13)16(22)19-15/h2-9H,10H2,1H3,(H,17,21)
InChIKeyICBDRYUATNNPSM-UHFFFAOYSA-N
XLogP1.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
CID 7256653
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725
N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256643
2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7256634
N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259156
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2027718
2-[5-cyano-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16751203
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259225
N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylsulfanylacetamide
CID 42693934
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256626) is N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is ICBDRYUATNNPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-23-12-7-5-11(6-8-12)17-14(21)10-24-15-18-13-4-2-3-9-20(13)16(22)19-15/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 342.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).