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

C12H13Cl3N2S — CID 113294118

IUPAC5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2cc(Cl)c(Cl)cc2Cl)SC1
InChIInChI=1S/C12H13Cl3N2S/c1-12(2)5-16-11(18-6-12)17-10-4-8(14)7(13)3-9(10)15/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeyQQEGKVBZENLBLM-UHFFFAOYSA-N
MW323.68 g/mol
LogP5.19
Rot. Bonds1

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

5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 113294118) has the molecular formula C12H13Cl3N2S and a molecular weight of 323.68 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID113294118
Molecular FormulaC12H13Cl3N2S
Molecular Weight323.68 g/mol
Exact Mass321.99
IUPAC Name5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2cc(Cl)c(Cl)cc2Cl)SC1
InChIInChI=1S/C12H13Cl3N2S/c1-12(2)5-16-11(18-6-12)17-10-4-8(14)7(13)3-9(10)15/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeyQQEGKVBZENLBLM-UHFFFAOYSA-N
XLogP5.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.68
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
N-(2,4,5-trichlorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361043
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361112
4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294148
5,5-dimethyl-N-(2,4,6-trifluorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361737
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 116700615
N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361200
N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294326
5,5-dimethyl-N-pyridin-3-yl-4,6-dihydro-1,3-thiazin-2-amine
CID 115360982
N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250051

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 113294118) is 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(Nc2cc(Cl)c(Cl)cc2Cl)SC1.
What is the InChIKey of 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QQEGKVBZENLBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2S/c1-12(2)5-16-11(18-6-12)17-10-4-8(14)7(13)3-9(10)15/h3-4H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 323.68 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 113294118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).