N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H16BrFN2S — CID 106351191

IUPACN-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2ccc(Br)cc2F)=N1
InChIInChI=1S/C13H16BrFN2S/c1-8(2)11-5-6-18-13(16-11)17-12-4-3-9(14)7-10(12)15/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17)
InChIKeyFURUFQITUWYRIF-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.52
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351191) has the molecular formula C13H16BrFN2S and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351191
Molecular FormulaC13H16BrFN2S
Molecular Weight331.25 g/mol
Exact Mass330.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2ccc(Br)cc2F)=N1
InChIInChI=1S/C13H16BrFN2S/c1-8(2)11-5-6-18-13(16-11)17-12-4-3-9(14)7-10(12)15/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17)
InChIKeyFURUFQITUWYRIF-UHFFFAOYSA-N
XLogP4.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
3-fluoro-4-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107858075
4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351686
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351157
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351151
4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351323
(4S)-N-(4-bromo-5-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985894
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351191) is N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(Nc2ccc(Br)cc2F)=N1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FURUFQITUWYRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2S/c1-8(2)11-5-6-18-13(16-11)17-12-4-3-9(14)7-10(12)15/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 331.25 g/mol, XLogP of 4.52, 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-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).