N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide

C12H9ClN6OS — CID 65452778

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)n1
InChIInChI=1S/C12H9ClN6OS/c13-6-4-5-7-11(19-21-18-7)10(6)16-12(20)8-2-1-3-9(15-8)17-14/h1-5H,14H2,(H,15,17)(H,16,20)
InChIKeyGSKFROPHBSDIIV-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.28
Rot. Bonds3

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide (PubChem CID 65452778) has the molecular formula C12H9ClN6OS and a molecular weight of 320.77 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide
PubChem CID65452778
Molecular FormulaC12H9ClN6OS
Molecular Weight320.77 g/mol
Exact Mass320.02
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)n1
InChIInChI=1S/C12H9ClN6OS/c13-6-4-5-7-11(19-21-18-7)10(6)16-12(20)8-2-1-3-9(15-8)17-14/h1-5H,14H2,(H,15,17)(H,16,20)
InChIKeyGSKFROPHBSDIIV-UHFFFAOYSA-N
XLogP2.28
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide
CID 65452578
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
N-(2,6-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 55050646
6-hydrazinyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 62242538
N-(2,6-dibromophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603480
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65452365

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide (CID 65452778) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide is NNc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)n1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is GSKFROPHBSDIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6OS/c13-6-4-5-7-11(19-21-18-7)10(6)16-12(20)8-2-1-3-9(15-8)17-14/h1-5H,14H2,(H,15,17)(H,16,20).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 320.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 65452778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).