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

C19H18F3N3O4S2 — CID 59623741

IUPAC[1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate
SMILESCCN1c2nccnc2C(OC(=O)C(C)C)=C(c2ccccc2SC(F)(F)F)S1(=O)=O
InChIInChI=1S/C19H18F3N3O4S2/c1-4-25-17-14(23-9-10-24-17)15(29-18(26)11(2)3)16(31(25,27)28)12-7-5-6-8-13(12)30-19(20,21)22/h5-11H,4H2,1-3H3
InChIKeyYLIWVEJYHJCCIB-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.28
Rot. Bonds5

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

[1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate (PubChem CID 59623741) has the molecular formula C19H18F3N3O4S2 and a molecular weight of 473.50 g/mol. Its IUPAC name is [1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate
PubChem CID59623741
Molecular FormulaC19H18F3N3O4S2
Molecular Weight473.50 g/mol
Exact Mass473.07
IUPAC Name[1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate
SMILESCCN1c2nccnc2C(OC(=O)C(C)C)=C(c2ccccc2SC(F)(F)F)S1(=O)=O
InChIInChI=1S/C19H18F3N3O4S2/c1-4-25-17-14(23-9-10-24-17)15(29-18(26)11(2)3)16(31(25,27)28)12-7-5-6-8-13(12)30-19(20,21)22/h5-11H,4H2,1-3H3
InChIKeyYLIWVEJYHJCCIB-UHFFFAOYSA-N
XLogP4.28
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-yl] 2-methylpropanoate?
The IUPAC name of [1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate (CID 59623741) is [1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate.
What is the SMILES notation for [1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate?
The canonical SMILES for [1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate is CCN1c2nccnc2C(OC(=O)C(C)C)=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-yl] 2-methylpropanoate?
The InChIKey is YLIWVEJYHJCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S2/c1-4-25-17-14(23-9-10-24-17)15(29-18(26)11(2)3)16(31(25,27)28)12-7-5-6-8-13(12)30-19(20,21)22/h5-11H,4H2,1-3H3.
What are the key properties of [1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate?
[1-ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate has a molecular weight of 473.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-yl] 2-methylpropanoate is sourced from PubChem (CID 59623741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).