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

C12H9ClN6OS — CID 65452578

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncccc1C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C12H9ClN6OS/c13-7-3-4-8-10(19-21-18-8)9(7)16-12(20)6-2-1-5-15-11(6)17-14/h1-5H,14H2,(H,15,17)(H,16,20)
InChIKeyVRBZCAKASORVSJ-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.28
Rot. Bonds3

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 65452578) 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)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID65452578
Molecular FormulaC12H9ClN6OS
Molecular Weight320.77 g/mol
Exact Mass320.02
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncccc1C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C12H9ClN6OS/c13-7-3-4-8-10(19-21-18-8)9(7)16-12(20)6-2-1-5-15-11(6)17-14/h1-5H,14H2,(H,15,17)(H,16,20)
InChIKeyVRBZCAKASORVSJ-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

2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 2038732
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]pyridine-3-carbothioamide
CID 65473796
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65452778
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62241635
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
CID 65475931
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107031240
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide (CID 65452578) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide is NNc1ncccc1C(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is VRBZCAKASORVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6OS/c13-7-3-4-8-10(19-21-18-8)9(7)16-12(20)6-2-1-5-15-11(6)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)-2-hydrazinylpyridine-3-carboxamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-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)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 65452578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).