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

C8H14F2N2S — CID 115407841

IUPACN-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC(F)F)SC1
InChIInChI=1S/C8H14F2N2S/c1-8(2)4-12-7(13-5-8)11-3-6(9)10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyZVKALFRACSSWHT-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.97
Rot. Bonds2

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

N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115407841) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115407841
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC NameN-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC(F)F)SC1
InChIInChI=1S/C8H14F2N2S/c1-8(2)4-12-7(13-5-8)11-3-6(9)10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyZVKALFRACSSWHT-UHFFFAOYSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2-methylpropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361495
5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361656
5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361640
N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361245
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115520973
N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 115407836
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410836
N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361472
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
CID 115361264
5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361325
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361644

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115407841) is N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCC(F)F)SC1.
What is the InChIKey of N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZVKALFRACSSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2S/c1-8(2)4-12-7(13-5-8)11-3-6(9)10/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 208.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115407841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).