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

C15H11F3N2O2S — CID 72704809

IUPAC4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2cccnc2N1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)22-11-4-1-3-10(7-11)8-20-13(21)9-23-12-5-2-6-19-14(12)20/h1-7H,8-9H2
InChIKeyNCPJHYQGWPFKQN-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds3

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

4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 72704809) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID72704809
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2cccnc2N1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)22-11-4-1-3-10(7-11)8-20-13(21)9-23-12-5-2-6-19-14(12)20/h1-7H,8-9H2
InChIKeyNCPJHYQGWPFKQN-UHFFFAOYSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one (CID 72704809) is 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one is O=C1CSc2cccnc2N1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is NCPJHYQGWPFKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c16-15(17,18)22-11-4-1-3-10(7-11)8-20-13(21)9-23-12-5-2-6-19-14(12)20/h1-7H,8-9H2.
What are the key properties of 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one?
4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 340.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 72704809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).