5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C16H11F3N2O2S — CID 91251805

IUPAC5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESO=c1ccc(C2=NC=CSC2)cn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)23-13-4-2-12(3-5-13)21-9-11(1-6-15(21)22)14-10-24-8-7-20-14/h1-9H,10H2
InChIKeyBOKXGZZAMDGSSB-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.74
Rot. Bonds3

About 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 91251805) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID91251805
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESO=c1ccc(C2=NC=CSC2)cn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)23-13-4-2-12(3-5-13)21-9-11(1-6-15(21)22)14-10-24-8-7-20-14/h1-9H,10H2
InChIKeyBOKXGZZAMDGSSB-UHFFFAOYSA-N
XLogP3.74
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 91251805) is 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is O=c1ccc(C2=NC=CSC2)cn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is BOKXGZZAMDGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)23-13-4-2-12(3-5-13)21-9-11(1-6-15(21)22)14-10-24-8-7-20-14/h1-9H,10H2.
What are the key properties of 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 352.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-1,4-thiazin-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 91251805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).