3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide

C6H9N3O3S — CID 63573915

IUPAC3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
SMILESNNC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C6H9N3O3S/c7-8-4(10)1-2-9-5(11)3-13-6(9)12/h1-3,7H2,(H,8,10)
InChIKeyVUEXCAGKIMRZLT-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.94
Rot. Bonds3

About 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide

3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide (PubChem CID 63573915) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
PubChem CID63573915
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
SMILESNNC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C6H9N3O3S/c7-8-4(10)1-2-9-5(11)3-13-6(9)12/h1-3,7H2,(H,8,10)
InChIKeyVUEXCAGKIMRZLT-UHFFFAOYSA-N
XLogP-0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.94
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide?
The IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide (CID 63573915) is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide?
The canonical SMILES for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide is NNC(=O)CCN1C(=O)CSC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide?
The InChIKey is VUEXCAGKIMRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c7-8-4(10)1-2-9-5(11)3-13-6(9)12/h1-3,7H2,(H,8,10).
What are the key properties of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide?
3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide has a molecular weight of 203.22 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide is sourced from PubChem (CID 63573915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).