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

C13H10ClN5OS — CID 62238142

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccnc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C13H10ClN5OS/c14-7-1-2-9-11(5-7)21-13(17-9)18-12(20)10-6-8(19-15)3-4-16-10/h1-6H,15H2,(H,16,19)(H,17,18,20)
InChIKeyWSGJVJAUOILXTG-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.88
Rot. Bonds3

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

N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide (PubChem CID 62238142) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
PubChem CID62238142
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccnc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C13H10ClN5OS/c14-7-1-2-9-11(5-7)21-13(17-9)18-12(20)10-6-8(19-15)3-4-16-10/h1-6H,15H2,(H,16,19)(H,17,18,20)
InChIKeyWSGJVJAUOILXTG-UHFFFAOYSA-N
XLogP2.88
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 75154398
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide (CID 62238142) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide is NNc1ccnc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide?
The InChIKey is WSGJVJAUOILXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-7-1-2-9-11(5-7)21-13(17-9)18-12(20)10-6-8(19-15)3-4-16-10/h1-6H,15H2,(H,16,19)(H,17,18,20).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide has a molecular weight of 319.78 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62238142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).