N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide

C14H10FN3OS — CID 872872

IUPACN'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2s1)c1ccccc1F
InChIInChI=1S/C14H10FN3OS/c15-10-6-2-1-5-9(10)13(19)17-18-14-16-11-7-3-4-8-12(11)20-14/h1-8H,(H,16,18)(H,17,19)
InChIKeyWYKZCVMXQPOSQY-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.19
Rot. Bonds3

About N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide

N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide (PubChem CID 872872) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
PubChem CID872872
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC NameN'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2s1)c1ccccc1F
InChIInChI=1S/C14H10FN3OS/c15-10-6-2-1-5-9(10)13(19)17-18-14-16-11-7-3-4-8-12(11)20-14/h1-8H,(H,16,18)(H,17,19)
InChIKeyWYKZCVMXQPOSQY-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzohydrazide
CID 2435403
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-benzothiazol-2-yl)-3-(trichloromethyl)benzamide
CID 1037067
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
N-(1,3-Benzothiazol-2-YL)-4-chlorobenzamide
CID 587146

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide (CID 872872) is N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide is O=C(NNc1nc2ccccc2s1)c1ccccc1F.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
The InChIKey is WYKZCVMXQPOSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-10-6-2-1-5-9(10)13(19)17-18-14-16-11-7-3-4-8-12(11)20-14/h1-8H,(H,16,18)(H,17,19).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide?
N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide has a molecular weight of 287.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide is sourced from PubChem (CID 872872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).