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

C13H14FN3O3S2 — CID 9091315

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CN1CCSC1=O
InChIInChI=1S/C13H14FN3O3S2/c14-9-3-1-2-4-10(9)22-8-12(19)16-15-11(18)7-17-5-6-21-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,19)
InChIKeyOYVXZMTVWOZTCO-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.23
Rot. Bonds5

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

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide (PubChem CID 9091315) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
PubChem CID9091315
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)CN1CCSC1=O
InChIInChI=1S/C13H14FN3O3S2/c14-9-3-1-2-4-10(9)22-8-12(19)16-15-11(18)7-17-5-6-21-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,19)
InChIKeyOYVXZMTVWOZTCO-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4794340
1-[2-(phenylsulfanyl)acetyl]tetrahydro-3H-pyrazol-3-one
CID 1487862
2-(4-fluorophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 45864730
N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 2520472
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7228840
2-(2-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 7484552
2-(4-fluorophenyl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 7554005
2-(2,5-difluorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 8199655
2-(3,4-difluorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 8233281
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 9062976
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 9062978
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9077874

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide (CID 9091315) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide is O=C(CSc1ccccc1F)NNC(=O)CN1CCSC1=O.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The InChIKey is OYVXZMTVWOZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c14-9-3-1-2-4-10(9)22-8-12(19)16-15-11(18)7-17-5-6-21-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,19).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide has a molecular weight of 343.41 g/mol, XLogP of 1.23, 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-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide is sourced from PubChem (CID 9091315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).