N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C14H19BrN2S — CID 113294326

IUPACN-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCc1cc(Br)cc(C)c1NC1=NCC(C)(C)CS1
InChIInChI=1S/C14H19BrN2S/c1-9-5-11(15)6-10(2)12(9)17-13-16-7-14(3,4)8-18-13/h5-6H,7-8H2,1-4H3,(H,16,17)
InChIKeyPBADTTWNPQMPGC-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.61
Rot. Bonds1

About N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 113294326) has the molecular formula C14H19BrN2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID113294326
Molecular FormulaC14H19BrN2S
Molecular Weight327.29 g/mol
Exact Mass326.05
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCc1cc(Br)cc(C)c1NC1=NCC(C)(C)CS1
InChIInChI=1S/C14H19BrN2S/c1-9-5-11(15)6-10(2)12(9)17-13-16-7-14(3,4)8-18-13/h5-6H,7-8H2,1-4H3,(H,16,17)
InChIKeyPBADTTWNPQMPGC-UHFFFAOYSA-N
XLogP4.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361737
N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361200
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499430
5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294118
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294190
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
5,5-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 103968036
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361089
N-(4-bromo-3,5-dimethylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107575996
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361112

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 113294326) is N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is Cc1cc(Br)cc(C)c1NC1=NCC(C)(C)CS1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PBADTTWNPQMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S/c1-9-5-11(15)6-10(2)12(9)17-13-16-7-14(3,4)8-18-13/h5-6H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 327.29 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 113294326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).