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

C12H14BrIN2S — CID 114262265

IUPACN-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(Nc2ccc(I)c(Br)c2)=N1
InChIInChI=1S/C12H14BrIN2S/c1-7-5-8(2)17-12(15-7)16-9-3-4-11(14)10(13)6-9/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyAHFBCMHIYPCSLW-UHFFFAOYSA-N
MW425.13 g/mol
LogP4.74
Rot. Bonds1

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

N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114262265) has the molecular formula C12H14BrIN2S and a molecular weight of 425.13 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114262265
Molecular FormulaC12H14BrIN2S
Molecular Weight425.13 g/mol
Exact Mass423.91
IUPAC NameN-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(Nc2ccc(I)c(Br)c2)=N1
InChIInChI=1S/C12H14BrIN2S/c1-7-5-8(2)17-12(15-7)16-9-3-4-11(14)10(13)6-9/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyAHFBCMHIYPCSLW-UHFFFAOYSA-N
XLogP4.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376366
N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106913129
N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106913149
N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188652
N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120
N-(1,3-dimethylpyrazol-4-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102806371
4-N-(3-bromo-4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114262788
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440032
4-N-(3-bromo-4-iodophenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 114261885
N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376397
N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 104829033
3-bromo-4-iodo-N-propylaniline
CID 130499837

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114262265) is N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(C)SC(Nc2ccc(I)c(Br)c2)=N1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is AHFBCMHIYPCSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN2S/c1-7-5-8(2)17-12(15-7)16-9-3-4-11(14)10(13)6-9/h3-4,6-8H,5H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-bromo-4-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 425.13 g/mol, XLogP of 4.74, 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-iodophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114262265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).