6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one

C9H6F3NOS — CID 2737092

IUPAC6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C9H6F3NOS/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14)
InChIKeyCDCYQWJTDZXFCS-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.75
Rot. Bonds

About 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one

6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one (PubChem CID 2737092) has the molecular formula C9H6F3NOS and a molecular weight of 233.21 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
PubChem CID2737092
Molecular FormulaC9H6F3NOS
Molecular Weight233.21 g/mol
Exact Mass233.01
IUPAC Name6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C9H6F3NOS/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14)
InChIKeyCDCYQWJTDZXFCS-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one (CID 2737092) is 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is CDCYQWJTDZXFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NOS/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14).
What are the key properties of 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 233.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 2737092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).