N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide

C14H12N4OS — CID 62236744

IUPACN-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N4OS/c15-18-10-6-2-1-5-9(10)13(19)17-14-16-11-7-3-4-8-12(11)20-14/h1-8,18H,15H2,(H,16,17,19)
InChIKeyJXTBNDWIYQLJDM-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.83
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide

N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide (PubChem CID 62236744) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
PubChem CID62236744
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N4OS/c15-18-10-6-2-1-5-9(10)13(19)17-14-16-11-7-3-4-8-12(11)20-14/h1-8,18H,15H2,(H,16,17,19)
InChIKeyJXTBNDWIYQLJDM-UHFFFAOYSA-N
XLogP2.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-(1,3-benzothiazol-2-ylcarbamoylamino)benzoic acid
CID 165368088
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide
CID 23828377

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide (CID 62236744) is N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide is NNc1ccccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide?
The InChIKey is JXTBNDWIYQLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-18-10-6-2-1-5-9(10)13(19)17-14-16-11-7-3-4-8-12(11)20-14/h1-8,18H,15H2,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide?
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide has a molecular weight of 284.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide is sourced from PubChem (CID 62236744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).