N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C12H14F2N2S — CID 115361200

IUPACN-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2c(F)cccc2F)SC1
InChIInChI=1S/C12H14F2N2S/c1-12(2)6-15-11(17-7-12)16-10-8(13)4-3-5-9(10)14/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyVHFTVKAXYJXVKR-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.51
Rot. Bonds1

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

N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361200) has the molecular formula C12H14F2N2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361200
Molecular FormulaC12H14F2N2S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC NameN-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2c(F)cccc2F)SC1
InChIInChI=1S/C12H14F2N2S/c1-12(2)6-15-11(17-7-12)16-10-8(13)4-3-5-9(10)14/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyVHFTVKAXYJXVKR-UHFFFAOYSA-N
XLogP3.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361737
N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294148
N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294326
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
5,5-dimethyl-N-pyridin-3-yl-4,6-dihydro-1,3-thiazin-2-amine
CID 115360982
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361089
5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294118
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361112
N-(2,4,6-trifluorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361736
N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294190
N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527307

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361200) is N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(Nc2c(F)cccc2F)SC1.
What is the InChIKey of N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is VHFTVKAXYJXVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2S/c1-12(2)6-15-11(17-7-12)16-10-8(13)4-3-5-9(10)14/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 256.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).