N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide

C15H13F2N3O3S — CID 9078331

IUPACN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
SMILESO=C(CSc1cc(F)ccc1F)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C15H13F2N3O3S/c16-10-4-5-11(17)12(7-10)24-9-14(22)19-18-13(21)8-20-6-2-1-3-15(20)23/h1-7H,8-9H2,(H,18,21)(H,19,22)
InChIKeyOSPKSQWRZHHQET-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.07
Rot. Bonds5

About N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide

N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide (PubChem CID 9078331) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
PubChem CID9078331
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
SMILESO=C(CSc1cc(F)ccc1F)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C15H13F2N3O3S/c16-10-4-5-11(17)12(7-10)24-9-14(22)19-18-13(21)8-20-6-2-1-3-15(20)23/h1-7H,8-9H2,(H,18,21)(H,19,22)
InChIKeyOSPKSQWRZHHQET-UHFFFAOYSA-N
XLogP1.07
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.07
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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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide
CID 7644816
N'-(4-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8842968
N'-(3-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8842972
N'-(2-fluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8842983
2-(2-oxo-1-pyridinyl)-N'-(2,3,4-trifluorophenyl)sulfonylacetohydrazide
CID 8843043
N'-(2,6-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8843052
N'-(2,5-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8843113
N'-(3,4-difluorophenyl)sulfonyl-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 8843120
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9077874
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9078072
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9091315
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9157009

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide?
The IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide (CID 9078331) is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide is O=C(CSc1cc(F)ccc1F)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide?
The InChIKey is OSPKSQWRZHHQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c16-10-4-5-11(17)12(7-10)24-9-14(22)19-18-13(21)8-20-6-2-1-3-15(20)23/h1-7H,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide?
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide has a molecular weight of 353.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide is sourced from PubChem (CID 9078331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).