5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

C13H14ClN5S — CID 65474428

IUPAC5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1nn(C)cc1C(C)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C13H14ClN5S/c1-7(9-6-19(3)16-8(9)2)15-12-10(14)4-5-11-13(12)18-20-17-11/h4-7,15H,1-3H3
InChIKeyFPGKZRAGLHWFSQ-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 65474428) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID65474428
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC Name5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1nn(C)cc1C(C)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C13H14ClN5S/c1-7(9-6-19(3)16-8(9)2)15-12-10(14)4-5-11-13(12)18-20-17-11/h4-7,15H,1-3H3
InChIKeyFPGKZRAGLHWFSQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]ethyl]benzene-1,3-diol
CID 65473266
5-chloro-N-[1-(4-iodophenyl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473673
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propane-1,2-diamine
CID 103390190
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65191967
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
methyl 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192423
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
3-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitroaniline
CID 82864957
2-[1-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propyl]phenol
CID 65475422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (CID 65474428) is 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is Cc1nn(C)cc1C(C)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is FPGKZRAGLHWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-7(9-6-19(3)16-8(9)2)15-12-10(14)4-5-11-13(12)18-20-17-11/h4-7,15H,1-3H3.
What are the key properties of 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 307.81 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).