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

C5H10N2O2S2 — CID 43620076

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
SMILESNC(=S)CN1CCCS1(=O)=O
InChIInChI=1S/C5H10N2O2S2/c6-5(10)4-7-2-1-3-11(7,8)9/h1-4H2,(H2,6,10)
InChIKeyJTSPRSAARDUVAN-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.69
Rot. Bonds2

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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide (PubChem CID 43620076) has the molecular formula C5H10N2O2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
PubChem CID43620076
Molecular FormulaC5H10N2O2S2
Molecular Weight194.28 g/mol
Exact Mass194.02
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
SMILESNC(=S)CN1CCCS1(=O)=O
InChIInChI=1S/C5H10N2O2S2/c6-5(10)4-7-2-1-3-11(7,8)9/h1-4H2,(H2,6,10)
InChIKeyJTSPRSAARDUVAN-UHFFFAOYSA-N
XLogP-0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Aminoethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 47002542
2-(2-(Methylamino)ethyl)-1lambda6,2-thiazolidine-1,1-dione
CID 56828150
2-(1,1-Dioxo-isothiazolidin-2-yl)-ethylamine
CID 43619975
2-(3,3-Difluoropyrrolidin-1-yl)sulfonylethanethioamide
CID 130664274
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanethioamide
CID 164648872
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium
CID 88554167
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 43620068
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)propanethioamide
CID 43620071
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
CID 43620077
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide
CID 48946622
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]methanesulfonamide
CID 48946668
2-[2-(Dimethylsulfamoylamino)ethyl]-1,1-dioxo-1,2-thiazolidine
CID 48946734

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide (CID 43620076) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide is NC(=S)CN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The InChIKey is JTSPRSAARDUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S2/c6-5(10)4-7-2-1-3-11(7,8)9/h1-4H2,(H2,6,10).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide has a molecular weight of 194.28 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide is sourced from PubChem (CID 43620076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).