(2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

C10H10F3NS — CID 22954227

IUPAC(2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESC[C@@H]1CNc2ccc(C(F)(F)F)cc2S1
InChIInChI=1S/C10H10F3NS/c1-6-5-14-8-3-2-7(10(11,12)13)4-9(8)15-6/h2-4,6,14H,5H2,1H3/t6-/m1/s1
InChIKeyNHFMEEQFAMOYQT-ZCFIWIBFSA-N
MW233.26 g/mol
LogP3.61
Rot. Bonds

About (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

(2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 22954227) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name(2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID22954227
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name(2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESC[C@@H]1CNc2ccc(C(F)(F)F)cc2S1
InChIInChI=1S/C10H10F3NS/c1-6-5-14-8-3-2-7(10(11,12)13)4-9(8)15-6/h2-4,6,14H,5H2,1H3/t6-/m1/s1
InChIKeyNHFMEEQFAMOYQT-ZCFIWIBFSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine 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 (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 22954227) is (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is C[C@@H]1CNc2ccc(C(F)(F)F)cc2S1.
What is the InChIKey of (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is NHFMEEQFAMOYQT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-6-5-14-8-3-2-7(10(11,12)13)4-9(8)15-6/h2-4,6,14H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
(2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 233.26 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 22954227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).