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

C11H11Cl2N3S — CID 12836995

IUPAC5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCN(C)C1=NN=C(c2ccc(Cl)cc2Cl)CS1
InChIInChI=1S/C11H11Cl2N3S/c1-16(2)11-15-14-10(6-17-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyTZLNSFVXTIQGGY-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.36
Rot. Bonds1

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

5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 12836995) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID12836995
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCN(C)C1=NN=C(c2ccc(Cl)cc2Cl)CS1
InChIInChI=1S/C11H11Cl2N3S/c1-16(2)11-15-14-10(6-17-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyTZLNSFVXTIQGGY-UHFFFAOYSA-N
XLogP3.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.36
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?
The IUPAC name of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine (CID 12836995) is 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine is CN(C)C1=NN=C(c2ccc(Cl)cc2Cl)CS1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is TZLNSFVXTIQGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-16(2)11-15-14-10(6-17-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.36, 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 is sourced from PubChem (CID 12836995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).