3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide

C16H16FN3O3S — CID 9078072

IUPAC3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H16FN3O3S/c17-12-4-6-13(7-5-12)24-10-8-14(21)18-19-15(22)11-20-9-2-1-3-16(20)23/h1-7,9H,8,10-11H2,(H,18,21)(H,19,22)
InChIKeyTXTBBCKYZDOQES-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.32
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide

3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide (PubChem CID 9078072) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
PubChem CID9078072
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H16FN3O3S/c17-12-4-6-13(7-5-12)24-10-8-14(21)18-19-15(22)11-20-9-2-1-3-16(20)23/h1-7,9H,8,10-11H2,(H,18,21)(H,19,22)
InChIKeyTXTBBCKYZDOQES-UHFFFAOYSA-N
XLogP1.32
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.32
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

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 17513989
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9077874
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9078331
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
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetohydrazide
CID 9157027
(E)-N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9157034
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide
CID 9218908
(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9417918
2-[2-[2-(4-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9504231
2-[2-[3-(4-fluorophenyl)sulfanylpropanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9504818
2-[2-[3-(3,4-difluorophenyl)sulfanylpropanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9505603

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide (CID 9078072) is 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide is O=C(CCSc1ccc(F)cc1)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
The InChIKey is TXTBBCKYZDOQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-12-4-6-13(7-5-12)24-10-8-14(21)18-19-15(22)11-20-9-2-1-3-16(20)23/h1-7,9H,8,10-11H2,(H,18,21)(H,19,22).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide?
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide has a molecular weight of 349.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide is sourced from PubChem (CID 9078072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).