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

C6H13N3O3S — CID 63577421

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCCS1(=O)=O
InChIInChI=1S/C6H13N3O3S/c1-5(6(10)8-7)9-3-2-4-13(9,11)12/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyJRJDCNKBNUFCTL-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.60
Rot. Bonds2

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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide (PubChem CID 63577421) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide
PubChem CID63577421
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCCS1(=O)=O
InChIInChI=1S/C6H13N3O3S/c1-5(6(10)8-7)9-3-2-4-13(9,11)12/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyJRJDCNKBNUFCTL-UHFFFAOYSA-N
XLogP-1.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.60
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide (CID 63577421) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide is CC(C(=O)NN)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide?
The InChIKey is JRJDCNKBNUFCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-5(6(10)8-7)9-3-2-4-13(9,11)12/h5H,2-4,7H2,1H3,(H,8,10).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanehydrazide has a molecular weight of 207.25 g/mol, XLogP of -1.60, 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)propanehydrazide is sourced from PubChem (CID 63577421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).