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

C11H12BrClN2S — CID 83188652

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

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

N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83188652) has the molecular formula C11H12BrClN2S and a molecular weight of 319.66 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83188652
Molecular FormulaC11H12BrClN2S
Molecular Weight319.66 g/mol
Exact Mass317.96
IUPAC NameN-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Cl)c(Br)c2)=N1
InChIInChI=1S/C11H12BrClN2S/c1-7-4-5-16-11(14-7)15-8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyOZLKWJDYIQIPLA-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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Related Compounds

N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187964
4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186701
N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186697
4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 83188188
N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186568
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
4-methyl-N-quinolin-6-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188493
4-methyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188198
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
CID 83188479
4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83179344

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83188652) is N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccc(Cl)c(Br)c2)=N1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OZLKWJDYIQIPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2S/c1-7-4-5-16-11(14-7)15-8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-bromo-4-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-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83188652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).