2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C16H11F3N4O2S — CID 7256634

IUPAC2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)10-5-1-2-6-11(10)20-13(24)9-26-14-21-12-7-3-4-8-23(12)15(25)22-14/h1-8H,9H2,(H,20,24)
InChIKeyYSEGFESIINLDTA-UHFFFAOYSA-N
MW380.35 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 7256634) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID7256634
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC Name2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)10-5-1-2-6-11(10)20-13(24)9-26-14-21-12-7-3-4-8-23(12)15(25)22-14/h1-8H,9H2,(H,20,24)
InChIKeyYSEGFESIINLDTA-UHFFFAOYSA-N
XLogP2.84
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256643
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256626
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3535499
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7256602
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4274700
2-(thiatriazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43815706
2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20879157

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 7256634) is 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YSEGFESIINLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)10-5-1-2-6-11(10)20-13(24)9-26-14-21-12-7-3-4-8-23(12)15(25)22-14/h1-8H,9H2,(H,20,24).
What are the key properties of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7256634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).