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

C12H13F3N2S — CID 115361737

IUPAC5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2c(F)cc(F)cc2F)SC1
InChIInChI=1S/C12H13F3N2S/c1-12(2)5-16-11(18-6-12)17-10-8(14)3-7(13)4-9(10)15/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeyDWVIKXMQFPWYGS-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.64
Rot. Bonds1

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

5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361737) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361737
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2c(F)cc(F)cc2F)SC1
InChIInChI=1S/C12H13F3N2S/c1-12(2)5-16-11(18-6-12)17-10-8(14)3-7(13)4-9(10)15/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeyDWVIKXMQFPWYGS-UHFFFAOYSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361200
N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294148
N-(2,4,6-trifluorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361736
5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294118
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
N-(2,4,6-trifluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298664
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361089
5,5-dimethyl-N-pyridin-3-yl-4,6-dihydro-1,3-thiazin-2-amine
CID 115360982
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 116700615
N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115407841
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361112

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 115361737) is 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(Nc2c(F)cc(F)cc2F)SC1.
What is the InChIKey of 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DWVIKXMQFPWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-12(2)5-16-11(18-6-12)17-10-8(14)3-7(13)4-9(10)15/h3-4H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 274.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).