3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine

C12H7F3N2S — CID 2997875

IUPAC3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine
SMILESFC(F)(F)c1cnc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H7F3N2S/c13-12(14,15)7-5-9-11(16-6-7)18-10-4-2-1-3-8(10)17-9/h1-6,17H
InChIKeyJDKUGFSKOBHFMC-UHFFFAOYSA-N
MW268.26 g/mol
LogP4.31
Rot. Bonds

About 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine

3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine (PubChem CID 2997875) has the molecular formula C12H7F3N2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine.

Molecular Properties

Compound Name3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine
PubChem CID2997875
Molecular FormulaC12H7F3N2S
Molecular Weight268.26 g/mol
Exact Mass268.03
IUPAC Name3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine
SMILESFC(F)(F)c1cnc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H7F3N2S/c13-12(14,15)7-5-9-11(16-6-7)18-10-4-2-1-3-8(10)17-9/h1-6,17H
InChIKeyJDKUGFSKOBHFMC-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine?
The IUPAC name of 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine (CID 2997875) is 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine.
What is the SMILES notation for 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine?
The canonical SMILES for 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine is FC(F)(F)c1cnc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine?
The InChIKey is JDKUGFSKOBHFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2S/c13-12(14,15)7-5-9-11(16-6-7)18-10-4-2-1-3-8(10)17-9/h1-6,17H.
What are the key properties of 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine?
3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine has a molecular weight of 268.26 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothiazine is sourced from PubChem (CID 2997875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).