3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide

C13H13FN4OS — CID 107459175

IUPAC3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSc2ccc(N)nc2)c1
InChIInChI=1S/C13H13FN4OS/c14-11-3-1-8(13(19)18-16)5-9(11)7-20-10-2-4-12(15)17-6-10/h1-6H,7,16H2,(H2,15,17)(H,18,19)
InChIKeyAYJWWWNSUTZQID-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.70
Rot. Bonds4

About 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide

3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide (PubChem CID 107459175) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
PubChem CID107459175
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC Name3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSc2ccc(N)nc2)c1
InChIInChI=1S/C13H13FN4OS/c14-11-3-1-8(13(19)18-16)5-9(11)7-20-10-2-4-12(15)17-6-10/h1-6H,7,16H2,(H2,15,17)(H,18,19)
InChIKeyAYJWWWNSUTZQID-UHFFFAOYSA-N
XLogP1.70
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-aminophenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459173
4-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-bromobenzohydrazide
CID 102774983
4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide
CID 63590631
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459124
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 43302207
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227
4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 107459185
4-fluoro-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 107459092
2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352452
3-[(2-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459216
4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
CID 107459054
3-[(4-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzoic acid
CID 107452050

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide (CID 107459175) is 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)c(CSc2ccc(N)nc2)c1.
What is the InChIKey of 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide?
The InChIKey is AYJWWWNSUTZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c14-11-3-1-8(13(19)18-16)5-9(11)7-20-10-2-4-12(15)17-6-10/h1-6H,7,16H2,(H2,15,17)(H,18,19).
What are the key properties of 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide?
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide has a molecular weight of 292.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107459175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).