3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide

C17H14FN3O2S — CID 162393519

IUPAC3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(Sc2ccccn2)o1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-10,20H,11H2,(H,21,22)
InChIKeyBDZYQABDXNSRFN-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.40
Rot. Bonds6

About 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide

3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide (PubChem CID 162393519) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide
PubChem CID162393519
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(Sc2ccccn2)o1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-10,20H,11H2,(H,21,22)
InChIKeyBDZYQABDXNSRFN-UHFFFAOYSA-N
XLogP3.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide?
The IUPAC name of 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide (CID 162393519) is 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide?
The canonical SMILES for 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide is O=C(NNCc1ccc(Sc2ccccn2)o1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide?
The InChIKey is BDZYQABDXNSRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-10,20H,11H2,(H,21,22).
What are the key properties of 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide?
3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide has a molecular weight of 343.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-[(5-pyridin-2-ylsulfanylfuran-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 162393519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).