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

C14H18BrFN2S — CID 106351909

IUPACN-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2ccc(Br)c(F)c2)=N1
InChIInChI=1S/C14H18BrFN2S/c1-14(2,3)12-6-7-19-13(18-12)17-9-4-5-10(15)11(16)8-9/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)
InChIKeyLLSWNNDOTIEVDL-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.91
Rot. Bonds1

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

N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351909) has the molecular formula C14H18BrFN2S and a molecular weight of 345.28 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351909
Molecular FormulaC14H18BrFN2S
Molecular Weight345.28 g/mol
Exact Mass344.04
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2ccc(Br)c(F)c2)=N1
InChIInChI=1S/C14H18BrFN2S/c1-14(2,3)12-6-7-19-13(18-12)17-9-4-5-10(15)11(16)8-9/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)
InChIKeyLLSWNNDOTIEVDL-UHFFFAOYSA-N
XLogP4.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351264
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351382
4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177130
4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351323
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351140
4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351378
4-tert-butyl-N-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352248
N-(4-bromo-3-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363400
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120
N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352291

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351909) is N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2ccc(Br)c(F)c2)=N1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LLSWNNDOTIEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2S/c1-14(2,3)12-6-7-19-13(18-12)17-9-4-5-10(15)11(16)8-9/h4-5,8,12H,6-7H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 345.28 g/mol, XLogP of 4.91, 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-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).