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

C12H14BrIN2S — CID 114260707

IUPACN-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CCSC(Nc2cc(I)ccc2Br)=N1
InChIInChI=1S/C12H14BrIN2S/c1-12(2)5-6-17-11(16-12)15-10-7-8(14)3-4-9(10)13/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyXZSXBEINRXTCNW-UHFFFAOYSA-N
MW425.13 g/mol
LogP4.74
Rot. Bonds1

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

N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 114260707) has the molecular formula C12H14BrIN2S and a molecular weight of 425.13 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID114260707
Molecular FormulaC12H14BrIN2S
Molecular Weight425.13 g/mol
Exact Mass423.91
IUPAC NameN-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CCSC(Nc2cc(I)ccc2Br)=N1
InChIInChI=1S/C12H14BrIN2S/c1-12(2)5-6-17-11(16-12)15-10-7-8(14)3-4-9(10)13/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyXZSXBEINRXTCNW-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'}

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 107614079
N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 114152526
N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 107463962
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 102854306
N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43555941
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166788
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078
(2-bromo-5-iodophenyl)hydrazine
CID 130164634
5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
CID 114261712

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (CID 114260707) is N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is CC1(C)CCSC(Nc2cc(I)ccc2Br)=N1.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is XZSXBEINRXTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN2S/c1-12(2)5-6-17-11(16-12)15-10-7-8(14)3-4-9(10)13/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-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-(2-bromo-5-iodophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 114260707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).