1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one

C15H11F3N2O4S — CID 72704019

IUPAC1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CS(=O)(=O)c2cccnc2N1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)24-11-4-1-3-10(7-11)8-20-13(21)9-25(22,23)12-5-2-6-19-14(12)20/h1-7H,8-9H2
InChIKeyLDNJKBXFQOXVTL-UHFFFAOYSA-N
MW372.32 g/mol
LogP2.30
Rot. Bonds3

About 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one

1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 72704019) has the molecular formula C15H11F3N2O4S and a molecular weight of 372.32 g/mol. Its IUPAC name is 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID72704019
Molecular FormulaC15H11F3N2O4S
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CS(=O)(=O)c2cccnc2N1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)24-11-4-1-3-10(7-11)8-20-13(21)9-25(22,23)12-5-2-6-19-14(12)20/h1-7H,8-9H2
InChIKeyLDNJKBXFQOXVTL-UHFFFAOYSA-N
XLogP2.30
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one (CID 72704019) is 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one is O=C1CS(=O)(=O)c2cccnc2N1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is LDNJKBXFQOXVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S/c16-15(17,18)24-11-4-1-3-10(7-11)8-20-13(21)9-25(22,23)12-5-2-6-19-14(12)20/h1-7H,8-9H2.
What are the key properties of 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 372.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 72704019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).