3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide

C12H15N3O3S — CID 63579041

IUPAC3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN2CCSC2=O)c1
InChIInChI=1S/C12H15N3O3S/c13-14-11(16)9-2-1-3-10(8-9)18-6-4-15-5-7-19-12(15)17/h1-3,8H,4-7,13H2,(H,14,16)
InChIKeyULJHQGBHLHADJF-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.84
Rot. Bonds5

About 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide

3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide (PubChem CID 63579041) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide
PubChem CID63579041
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCN2CCSC2=O)c1
InChIInChI=1S/C12H15N3O3S/c13-14-11(16)9-2-1-3-10(8-9)18-6-4-15-5-7-19-12(15)17/h1-3,8H,4-7,13H2,(H,14,16)
InChIKeyULJHQGBHLHADJF-UHFFFAOYSA-N
XLogP0.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
CID 79468409
2-(3-bromophenoxy)ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 55442847
3-pentoxybenzohydrazide
CID 54793157
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
CID 81214161
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
N-(1-methylcyclobutyl)-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 46969344
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 107760958
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide?
The IUPAC name of 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide (CID 63579041) is 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide is NNC(=O)c1cccc(OCCN2CCSC2=O)c1.
What is the InChIKey of 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide?
The InChIKey is ULJHQGBHLHADJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-14-11(16)9-2-1-3-10(8-9)18-6-4-15-5-7-19-12(15)17/h1-3,8H,4-7,13H2,(H,14,16).
What are the key properties of 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide?
3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide has a molecular weight of 281.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1,3-thiazolidin-3-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63579041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).