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

C13H15BrClFN2S — CID 106166837

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C13H15BrClFN2S/c1-3-13(2)4-5-19-12(18-13)17-11-9(14)6-8(16)7-10(11)15/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyLYLCSWMJAWATMG-UHFFFAOYSA-N
MW365.70 g/mol
LogP5.32
Rot. Bonds2

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

N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106166837) has the molecular formula C13H15BrClFN2S and a molecular weight of 365.70 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106166837
Molecular FormulaC13H15BrClFN2S
Molecular Weight365.70 g/mol
Exact Mass363.98
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C13H15BrClFN2S/c1-3-13(2)4-5-19-12(18-13)17-11-9(14)6-8(16)7-10(11)15/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyLYLCSWMJAWATMG-UHFFFAOYSA-N
XLogP5.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.70
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106166837) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2c(Cl)cc(F)cc2Br)=N1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is LYLCSWMJAWATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN2S/c1-3-13(2)4-5-19-12(18-13)17-11-9(14)6-8(16)7-10(11)15/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 365.70 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106166837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).