2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide

C5H11N3O3S — CID 14668524

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
SMILESNNC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C5H11N3O3S/c6-7-5(9)4-8-2-1-3-12(8,10)11/h1-4,6H2,(H,7,9)
InChIKeyIBLVIWIMKQKWML-UHFFFAOYSA-N
MW193.23 g/mol
LogP-1.99
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide (PubChem CID 14668524) has the molecular formula C5H11N3O3S and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
PubChem CID14668524
Molecular FormulaC5H11N3O3S
Molecular Weight193.23 g/mol
Exact Mass193.05
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
SMILESNNC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C5H11N3O3S/c6-7-5(9)4-8-2-1-3-12(8,10)11/h1-4,6H2,(H,7,9)
InChIKeyIBLVIWIMKQKWML-UHFFFAOYSA-N
XLogP-1.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-Carbamoylmethyl-1,2-thiazolidine, 1,1-dioxide
CID 584047
3-Pyrrolidin-1-ylsulfonylpropanehydrazide
CID 33737511
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)propanehydrazide
CID 61070744
2-hydrazinyl-2-oxo-N-(3-sulfamoylpropyl)acetamide
CID 61878939
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)propanehydrazide
CID 63577421
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanehydrazide
CID 63577606
2-(4-Oxotriazolidin-1-yl)ethanesulfonyl chloride
CID 87893020

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide (CID 14668524) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide is NNC(=O)CN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide?
The InChIKey is IBLVIWIMKQKWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3S/c6-7-5(9)4-8-2-1-3-12(8,10)11/h1-4,6H2,(H,7,9).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide has a molecular weight of 193.23 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide is sourced from PubChem (CID 14668524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).