N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide

C13H14FN3O3S2 — CID 9157009

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CN1CSCC1=O
InChIInChI=1S/C13H14FN3O3S2/c14-9-3-1-2-4-10(9)22-6-12(19)16-15-11(18)5-17-8-21-7-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,19)
InChIKeyKOCSYPAMWRFUPF-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.60
Rot. Bonds5

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide (PubChem CID 9157009) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
PubChem CID9157009
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CN1CSCC1=O
InChIInChI=1S/C13H14FN3O3S2/c14-9-3-1-2-4-10(9)22-6-12(19)16-15-11(18)5-17-8-21-7-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,19)
InChIKeyKOCSYPAMWRFUPF-UHFFFAOYSA-N
XLogP0.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.60
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 N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide (CID 9157009) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide is O=C(CSc1ccccc1F)NNC(=O)CN1CSCC1=O.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The InChIKey is KOCSYPAMWRFUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c14-9-3-1-2-4-10(9)22-6-12(19)16-15-11(18)5-17-8-21-7-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,19).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide has a molecular weight of 343.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide is sourced from PubChem (CID 9157009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).