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

C14H19BrN2S — CID 114152526

IUPACN-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccc(Br)cc2C)=N1
InChIInChI=1S/C14H19BrN2S/c1-4-14(3)7-8-18-13(17-14)16-12-6-5-11(15)9-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyLXNWWDONESOMKS-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.83
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 114152526) has the molecular formula C14H19BrN2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID114152526
Molecular FormulaC14H19BrN2S
Molecular Weight327.29 g/mol
Exact Mass326.05
IUPAC NameN-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccc(Br)cc2C)=N1
InChIInChI=1S/C14H19BrN2S/c1-4-14(3)7-8-18-13(17-14)16-12-6-5-11(15)9-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyLXNWWDONESOMKS-UHFFFAOYSA-N
XLogP4.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550701
4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164620
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165206
4-ethyl-4-methyl-N-quinolin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164859
N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177114
N-(3,5-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166821

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 114152526) is N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2ccc(Br)cc2C)=N1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is LXNWWDONESOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S/c1-4-14(3)7-8-18-13(17-14)16-12-6-5-11(15)9-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 327.29 g/mol, XLogP of 4.83, 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-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 114152526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).