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

C12H14F2N2S — CID 113294148

IUPACN-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2cc(F)cc(F)c2)SC1
InChIInChI=1S/C12H14F2N2S/c1-12(2)6-15-11(17-7-12)16-10-4-8(13)3-9(14)5-10/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyQYOKJZAGEDQUHN-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.51
Rot. Bonds1

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

N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 113294148) has the molecular formula C12H14F2N2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID113294148
Molecular FormulaC12H14F2N2S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC NameN-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2cc(F)cc(F)c2)SC1
InChIInChI=1S/C12H14F2N2S/c1-12(2)6-15-11(17-7-12)16-10-4-8(13)3-9(14)5-10/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyQYOKJZAGEDQUHN-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 113294148) is N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(Nc2cc(F)cc(F)c2)SC1.
What is the InChIKey of N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QYOKJZAGEDQUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2S/c1-12(2)6-15-11(17-7-12)16-10-4-8(13)3-9(14)5-10/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(3,5-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-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 113294148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).