5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride

C11H12Cl3N3S — CID 135800628

IUPAC5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
SMILESCC/N=C1/NN=C(c2ccc(Cl)cc2Cl)CS1.Cl
InChIInChI=1S/C11H11Cl2N3S.ClH/c1-2-14-11-16-15-10(6-17-11)8-4-3-7(12)5-9(8)13;/h3-5H,2,6H2,1H3,(H,14,16);1H
InChIKeyQGSRPTVNXVZNLU-UHFFFAOYSA-N
MW324.66 g/mol
LogP3.83
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride

5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride (PubChem CID 135800628) has the molecular formula C11H12Cl3N3S and a molecular weight of 324.66 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
PubChem CID135800628
Molecular FormulaC11H12Cl3N3S
Molecular Weight324.66 g/mol
Exact Mass322.98
IUPAC Name5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
SMILESCC/N=C1/NN=C(c2ccc(Cl)cc2Cl)CS1.Cl
InChIInChI=1S/C11H11Cl2N3S.ClH/c1-2-14-11-16-15-10(6-17-11)8-4-3-7(12)5-9(8)13;/h3-5H,2,6H2,1H3,(H,14,16);1H
InChIKeyQGSRPTVNXVZNLU-UHFFFAOYSA-N
XLogP3.83
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135800629
N-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135531819
N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135794929
3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
CID 144921488
3-[3-[2-(2,4-dichlorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile
CID 135591401
6-(2,4-dichlorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 7303101
5-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135672718
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135898828
3-(2,4-dichlorophenyl)-4H-pyrazole
CID 97049956
N-(2,6-dimethylphenyl)-5-(2-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135468791
5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135529253
5-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135673039

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride (CID 135800628) is 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride is CC/N=C1/NN=C(c2ccc(Cl)cc2Cl)CS1.Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride?
The InChIKey is QGSRPTVNXVZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S.ClH/c1-2-14-11-16-15-10(6-17-11)8-4-3-7(12)5-9(8)13;/h3-5H,2,6H2,1H3,(H,14,16);1H.
What are the key properties of 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride?
5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride has a molecular weight of 324.66 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride is sourced from PubChem (CID 135800628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).