4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one

C16H13F3N2OS — CID 72704812

IUPAC4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one
SMILESCC(c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21
InChIInChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3
InChIKeyLRPBZJNZJSRNQB-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.30
Rot. Bonds2

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

4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 72704812) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID72704812
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one
SMILESCC(c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21
InChIInChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3
InChIKeyLRPBZJNZJSRNQB-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one (CID 72704812) is 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one is CC(c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21.
What is the InChIKey of 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is LRPBZJNZJSRNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3.
What are the key properties of 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one?
4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 338.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 72704812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).