5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine

C11H10Cl2N6S — CID 65473477

IUPAC5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(Nc2c(Cl)cc(Cl)c3nsnc23)c1N
InChIInChI=1S/C11H10Cl2N6S/c1-4-7(14)11(19(2)16-4)15-8-5(12)3-6(13)9-10(8)18-20-17-9/h3,15H,14H2,1-2H3
InChIKeyYXSDFIJGUHHHNO-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.37
Rot. Bonds2

About 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 65473477) has the molecular formula C11H10Cl2N6S and a molecular weight of 329.22 g/mol. Its IUPAC name is 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID65473477
Molecular FormulaC11H10Cl2N6S
Molecular Weight329.22 g/mol
Exact Mass328.01
IUPAC Name5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(Nc2c(Cl)cc(Cl)c3nsnc23)c1N
InChIInChI=1S/C11H10Cl2N6S/c1-4-7(14)11(19(2)16-4)15-8-5(12)3-6(13)9-10(8)18-20-17-9/h3,15H,14H2,1-2H3
InChIKeyYXSDFIJGUHHHNO-UHFFFAOYSA-N
XLogP3.37
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine (CID 65473477) is 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(Nc2c(Cl)cc(Cl)c3nsnc23)c1N.
What is the InChIKey of 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is YXSDFIJGUHHHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N6S/c1-4-7(14)11(19(2)16-4)15-8-5(12)3-6(13)9-10(8)18-20-17-9/h3,15H,14H2,1-2H3.
What are the key properties of 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 329.22 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 65473477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).