1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol

C15H12F3N3O3S2 — CID 59623729

IUPAC1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol
SMILESCCN1c2nccnc2C(O)=C(c2ccccc2SC(F)(F)F)S1(=O)=O
InChIInChI=1S/C15H12F3N3O3S2/c1-2-21-14-11(19-7-8-20-14)12(22)13(26(21,23)24)9-5-3-4-6-10(9)25-15(16,17)18/h3-8,22H,2H2,1H3
InChIKeyRYTNZNSNHDVIFK-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.64
Rot. Bonds3

About 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol

1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol (PubChem CID 59623729) has the molecular formula C15H12F3N3O3S2 and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol.

Molecular Properties

Compound Name1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol
PubChem CID59623729
Molecular FormulaC15H12F3N3O3S2
Molecular Weight403.41 g/mol
Exact Mass403.03
IUPAC Name1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol
SMILESCCN1c2nccnc2C(O)=C(c2ccccc2SC(F)(F)F)S1(=O)=O
InChIInChI=1S/C15H12F3N3O3S2/c1-2-21-14-11(19-7-8-20-14)12(22)13(26(21,23)24)9-5-3-4-6-10(9)25-15(16,17)18/h3-8,22H,2H2,1H3
InChIKeyRYTNZNSNHDVIFK-UHFFFAOYSA-N
XLogP3.64
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol?
The IUPAC name of 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol (CID 59623729) is 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol.
What is the SMILES notation for 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol?
The canonical SMILES for 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol is CCN1c2nccnc2C(O)=C(c2ccccc2SC(F)(F)F)S1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol?
The InChIKey is RYTNZNSNHDVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S2/c1-2-21-14-11(19-7-8-20-14)12(22)13(26(21,23)24)9-5-3-4-6-10(9)25-15(16,17)18/h3-8,22H,2H2,1H3.
What are the key properties of 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol?
1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol has a molecular weight of 403.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-ol is sourced from PubChem (CID 59623729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).