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

C11H12BrClN2S — CID 107614120

IUPACN-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Br)c(Cl)c2)=N1
InChIInChI=1S/C11H12BrClN2S/c1-7-4-5-16-11(14-7)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyDYGBJTNLYPHOHO-UHFFFAOYSA-N
MW319.66 g/mol
LogP4.40
Rot. Bonds1

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

N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 107614120) has the molecular formula C11H12BrClN2S and a molecular weight of 319.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID107614120
Molecular FormulaC11H12BrClN2S
Molecular Weight319.66 g/mol
Exact Mass317.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Br)c(Cl)c2)=N1
InChIInChI=1S/C11H12BrClN2S/c1-7-4-5-16-11(14-7)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyDYGBJTNLYPHOHO-UHFFFAOYSA-N
XLogP4.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 107614120) is N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccc(Br)c(Cl)c2)=N1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DYGBJTNLYPHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2S/c1-7-4-5-16-11(14-7)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 319.66 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 107614120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).