(4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine

C12H12BrF3N2S — CID 126488079

IUPAC(4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine
SMILESC[C@H]1SC(N)=N[C@](C)(c2cc(Br)ccc2F)C1(F)F
InChIInChI=1S/C12H12BrF3N2S/c1-6-12(15,16)11(2,18-10(17)19-6)8-5-7(13)3-4-9(8)14/h3-6H,1-2H3,(H2,17,18)/t6-,11-/m1/s1
InChIKeyDGVSTOCZHIMLME-KSBSHMNSSA-N
MW353.21 g/mol
LogP3.89
Rot. Bonds1

About (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine

(4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine (PubChem CID 126488079) has the molecular formula C12H12BrF3N2S and a molecular weight of 353.21 g/mol. Its IUPAC name is (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine
PubChem CID126488079
Molecular FormulaC12H12BrF3N2S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name(4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine
SMILESC[C@H]1SC(N)=N[C@](C)(c2cc(Br)ccc2F)C1(F)F
InChIInChI=1S/C12H12BrF3N2S/c1-6-12(15,16)11(2,18-10(17)19-6)8-5-7(13)3-4-9(8)14/h3-6H,1-2H3,(H2,17,18)/t6-,11-/m1/s1
InChIKeyDGVSTOCZHIMLME-KSBSHMNSSA-N
XLogP3.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine 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 (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine?
The IUPAC name of (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine (CID 126488079) is (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine.
What is the SMILES notation for (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine?
The canonical SMILES for (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine is C[C@H]1SC(N)=N[C@](C)(c2cc(Br)ccc2F)C1(F)F.
What is the InChIKey of (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine?
The InChIKey is DGVSTOCZHIMLME-KSBSHMNSSA-N. The full InChI is InChI=1S/C12H12BrF3N2S/c1-6-12(15,16)11(2,18-10(17)19-6)8-5-7(13)3-4-9(8)14/h3-6H,1-2H3,(H2,17,18)/t6-,11-/m1/s1.
What are the key properties of (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine?
(4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine has a molecular weight of 353.21 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-(5-bromo-2-fluorophenyl)-5,5-difluoro-4,6-dimethyl-6H-1,3-thiazin-2-amine is sourced from PubChem (CID 126488079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).