N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C13H15BrF2N2S — CID 106166322

IUPACN-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C13H15BrF2N2S/c1-3-13(2)4-5-19-12(18-13)17-11-9(15)6-8(14)7-10(11)16/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyWWZQNJNIRMNPKX-UHFFFAOYSA-N
MW349.24 g/mol
LogP4.80
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106166322) has the molecular formula C13H15BrF2N2S and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106166322
Molecular FormulaC13H15BrF2N2S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C13H15BrF2N2S/c1-3-13(2)4-5-19-12(18-13)17-11-9(15)6-8(14)7-10(11)16/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyWWZQNJNIRMNPKX-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106166322) is N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2c(F)cc(Br)cc2F)=N1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is WWZQNJNIRMNPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2S/c1-3-13(2)4-5-19-12(18-13)17-11-9(15)6-8(14)7-10(11)16/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 349.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106166322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).