(3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C13H16F2N2O2S — CID 89095185

IUPAC(3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2c(F)cccc2F)CS1(=O)=O
InChIInChI=1S/C13H16F2N2O2S/c1-12(2)11(16)17-13(3,7-20(12,18)19)10-8(14)5-4-6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyUHMFOHSPVDPZQU-ZDUSSCGKSA-N
MW302.35 g/mol
LogP1.74
Rot. Bonds1

About (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 89095185) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID89095185
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name(3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2c(F)cccc2F)CS1(=O)=O
InChIInChI=1S/C13H16F2N2O2S/c1-12(2)11(16)17-13(3,7-20(12,18)19)10-8(14)5-4-6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyUHMFOHSPVDPZQU-ZDUSSCGKSA-N
XLogP1.74
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]benzonitrile
CID 66563498
3-[3-[(8R)-10-amino-8-methyl-6,6-dioxo-6lambda6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]benzonitrile
CID 71532117
US9181236, Table A, 31
CID 86715771
(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
CID 89095299
(3R,6S)-6-(3-bromophenyl)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095400
(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-[3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-5-amine
CID 89095402
US11021493, Example 277
CID 154601223
(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
US9499502, Table A: Entry 2
CID 86715778
(R)-7-(5-bromo-2-fluoro-phenyl)-7-methyl-5,5-dioxo-5lambda6-thia-8-aza-spiro[3.5]non-8-en-9-ylamine
CID 86715829
(2S,3R)-3-(5-amino-2-fluorophenyl)-2-fluoro-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 86715887
US9499502, Table A: Entry 60
CID 89095147

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 89095185) is (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2c(F)cccc2F)CS1(=O)=O.
What is the InChIKey of (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is UHMFOHSPVDPZQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c1-12(2)11(16)17-13(3,7-20(12,18)19)10-8(14)5-4-6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17)/t13-/m0/s1.
What are the key properties of (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 302.35 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,6-difluorophenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 89095185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).