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

C10H10F3NS — CID 71682324

IUPAC2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(C(F)(F)F)ccc2S1
InChIInChI=1S/C10H10F3NS/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKeyWRLRCEHLHPAGNN-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.61
Rot. Bonds

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

2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 71682324) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID71682324
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(C(F)(F)F)ccc2S1
InChIInChI=1S/C10H10F3NS/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKeyWRLRCEHLHPAGNN-UHFFFAOYSA-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

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Related Compounds

Triflupromazine
CID 5568
10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride
CID 66069
2-(trifluoromethyl)-10H-phenothiazine
CID 7082
Trifluomeprazine
CID 72136
2,3-Dihydro-1,4-benzothiazine
CID 151064
10-[3-(4-Methylpyrazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 444891
2-ethyl-10H-phenothiazine
CID 98833
3,4-Dihydro-2H-benzo[1,4]thiazine hydrochloride
CID 16192655
2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-10H-phenothiazine
CID 141758652
2-(Trifluoromethyl)-10H-phenothiazine-10-propanamine
CID 10983043
3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 10086958
1-(5-Methyl-2-phenylsulfanylphenyl)piperazine;hydrochloride
CID 53237226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 71682324) is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is CC1CNc2cc(C(F)(F)F)ccc2S1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is WRLRCEHLHPAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
2-methyl-6-(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 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 71682324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).