3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine

C15H10F3NS — CID 24905609

IUPAC3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
SMILESFC(F)(F)c1ccc2c(c1)N=C(c1ccccc1)CS2
InChIInChI=1S/C15H10F3NS/c16-15(17,18)11-6-7-14-12(8-11)19-13(9-20-14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyXCHRFIULFQLDBK-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.93
Rot. Bonds1

About 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine

3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine (PubChem CID 24905609) has the molecular formula C15H10F3NS and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
PubChem CID24905609
Molecular FormulaC15H10F3NS
Molecular Weight293.31 g/mol
Exact Mass293.05
IUPAC Name3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
SMILESFC(F)(F)c1ccc2c(c1)N=C(c1ccccc1)CS2
InChIInChI=1S/C15H10F3NS/c16-15(17,18)11-6-7-14-12(8-11)19-13(9-20-14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyXCHRFIULFQLDBK-UHFFFAOYSA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine
CID 611171
2H-1,4-Benzothiazine, 3-phenyl-
CID 415876
2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CID 11413760
3-(4-nitrophenyl)-6-(trifluoromethyl)-2H-1,4-benzothiazine
CID 24905598
3-(4-fluorophenyl)-2H-1,4-benzothiazine
CID 44568430
3H-Phenothiazin-3-one, 8-(trifluoromethyl)-
CID 620168
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 369428
11-Methyldibenzo[b,f][1,4]thiazepine
CID 704581
N'-[2-propylsulfanyl-5-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 139198030
2-(4-Fluorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 139217277
2,3-diphenyl-2H-1,4-benzothiazine
CID 85735261
2-ethyl-3-phenyl-2H-1,4-benzothiazine
CID 154198566

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
The IUPAC name of 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine (CID 24905609) is 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
The canonical SMILES for 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine is FC(F)(F)c1ccc2c(c1)N=C(c1ccccc1)CS2.
What is the InChIKey of 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
The InChIKey is XCHRFIULFQLDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS/c16-15(17,18)11-6-7-14-12(8-11)19-13(9-20-14)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine has a molecular weight of 293.31 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 24905609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).