4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide

C7H14N2O2S2 — CID 43620068

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
SMILESNC(=S)CCCN1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S2/c8-7(12)3-1-4-9-5-2-6-13(9,10)11/h1-6H2,(H2,8,12)
InChIKeyJEVABNBKVIOZJB-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.09
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide (PubChem CID 43620068) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
PubChem CID43620068
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
SMILESNC(=S)CCCN1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S2/c8-7(12)3-1-4-9-5-2-6-13(9,10)11/h1-6H2,(H2,8,12)
InChIKeyJEVABNBKVIOZJB-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide (CID 43620068) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide is NC(=S)CCCN1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The InChIKey is JEVABNBKVIOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c8-7(12)3-1-4-9-5-2-6-13(9,10)11/h1-6H2,(H2,8,12).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide has a molecular weight of 222.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide is sourced from PubChem (CID 43620068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).