N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine

C12H13BrClFN2S — CID 107614079

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C12H13BrClFN2S/c1-12(2)3-4-18-11(17-12)16-10-8(13)5-7(15)6-9(10)14/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyDYXXBFBBCNZJGM-UHFFFAOYSA-N
MW351.67 g/mol
LogP4.93
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 107614079) has the molecular formula C12H13BrClFN2S and a molecular weight of 351.67 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID107614079
Molecular FormulaC12H13BrClFN2S
Molecular Weight351.67 g/mol
Exact Mass349.97
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C12H13BrClFN2S/c1-12(2)3-4-18-11(17-12)16-10-8(13)5-7(15)6-9(10)14/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyDYXXBFBBCNZJGM-UHFFFAOYSA-N
XLogP4.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine with MolForge

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107614085
N-(2-bromo-6-chloro-4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107614089
N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 114260707
N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166322
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
N-(3,5-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166821
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
2-bromo-6-chloro-4-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 107610310
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107611250
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (CID 107614079) is N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is CC1(C)CCSC(Nc2c(Cl)cc(F)cc2Br)=N1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DYXXBFBBCNZJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFN2S/c1-12(2)3-4-18-11(17-12)16-10-8(13)5-7(15)6-9(10)14/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 351.67 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 107614079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).