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

C14H17Cl3N2S — CID 106249763

IUPAC5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2cc(Cl)c(Cl)cc2Cl)SC1
InChIInChI=1S/C14H17Cl3N2S/c1-3-14(4-2)7-18-13(20-8-14)19-12-6-10(16)9(15)5-11(12)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyCZUQACGWMJGIJB-UHFFFAOYSA-N
MW351.73 g/mol
LogP5.97
Rot. Bonds3

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

5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106249763) has the molecular formula C14H17Cl3N2S and a molecular weight of 351.73 g/mol. Its IUPAC name is 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106249763
Molecular FormulaC14H17Cl3N2S
Molecular Weight351.73 g/mol
Exact Mass350.02
IUPAC Name5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2cc(Cl)c(Cl)cc2Cl)SC1
InChIInChI=1S/C14H17Cl3N2S/c1-3-14(4-2)7-18-13(20-8-14)19-12-6-10(16)9(15)5-11(12)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyCZUQACGWMJGIJB-UHFFFAOYSA-N
XLogP5.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.73
LogP ≤ 55.97
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-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250051
5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294118
1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106251711
N-(3,5-dimethylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249954
4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
N-(2,4,5-trichlorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361043
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250477
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250889
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106249763) is 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(Nc2cc(Cl)c(Cl)cc2Cl)SC1.
What is the InChIKey of 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is CZUQACGWMJGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2S/c1-3-14(4-2)7-18-13(20-8-14)19-12-6-10(16)9(15)5-11(12)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 351.73 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106249763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).