4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide

C15H11F3N2O4S2 — CID 54687553

IUPAC4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O
InChIInChI=1S/C15H11F3N2O4S2/c1-20-10-5-6-25-12(10)11(21)13(26(20,23)24)14(22)19-9-4-2-3-8(7-9)15(16,17)18/h2-7,21H,1H3,(H,19,22)
InChIKeyRVBLCBILDONHIO-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.41
Rot. Bonds2

About 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide

4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54687553) has the molecular formula C15H11F3N2O4S2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide
PubChem CID54687553
Molecular FormulaC15H11F3N2O4S2
Molecular Weight404.39 g/mol
Exact Mass404.01
IUPAC Name4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O
InChIInChI=1S/C15H11F3N2O4S2/c1-20-10-5-6-25-12(10)11(21)13(26(20,23)24)14(22)19-9-4-2-3-8(7-9)15(16,17)18/h2-7,21H,1H3,(H,19,22)
InChIKeyRVBLCBILDONHIO-UHFFFAOYSA-N
XLogP3.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide (CID 54687553) is 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide is CN1c2ccsc2C(O)=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O.
What is the InChIKey of 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is RVBLCBILDONHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S2/c1-20-10-5-6-25-12(10)11(21)13(26(20,23)24)14(22)19-9-4-2-3-8(7-9)15(16,17)18/h2-7,21H,1H3,(H,19,22).
What are the key properties of 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide?
4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54687553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).