5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride

C11H12Cl3N3S — CID 12836996

IUPAC5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride
SMILESCN(C)C1=NN=C(c2ccc(Cl)cc2Cl)CS1.Cl
InChIInChI=1S/C11H11Cl2N3S.ClH/c1-16(2)11-15-14-10(6-17-11)8-4-3-7(12)5-9(8)13;/h3-5H,6H2,1-2H3;1H
InChIKeyFZPJCAJUXMRHGT-UHFFFAOYSA-N
MW324.66 g/mol
LogP3.78
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride

5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride (PubChem CID 12836996) has the molecular formula C11H12Cl3N3S and a molecular weight of 324.66 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride
PubChem CID12836996
Molecular FormulaC11H12Cl3N3S
Molecular Weight324.66 g/mol
Exact Mass322.98
IUPAC Name5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride
SMILESCN(C)C1=NN=C(c2ccc(Cl)cc2Cl)CS1.Cl
InChIInChI=1S/C11H11Cl2N3S.ClH/c1-16(2)11-15-14-10(6-17-11)8-4-3-7(12)5-9(8)13;/h3-5H,6H2,1-2H3;1H
InChIKeyFZPJCAJUXMRHGT-UHFFFAOYSA-N
XLogP3.78
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride?
The IUPAC name of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride (CID 12836996) is 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride is CN(C)C1=NN=C(c2ccc(Cl)cc2Cl)CS1.Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride?
The InChIKey is FZPJCAJUXMRHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S.ClH/c1-16(2)11-15-14-10(6-17-11)8-4-3-7(12)5-9(8)13;/h3-5H,6H2,1-2H3;1H.
What are the key properties of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride?
5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride has a molecular weight of 324.66 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine;hydrochloride is sourced from PubChem (CID 12836996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).