2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide

C6H12N2O2S2 — CID 79580525

IUPAC2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
SMILESCC1CN(CC(N)=S)S(=O)(=O)C1
InChIInChI=1S/C6H12N2O2S2/c1-5-2-8(3-6(7)11)12(9,10)4-5/h5H,2-4H2,1H3,(H2,7,11)
InChIKeyABVUHWZXCGTDNM-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.45
Rot. Bonds2

About 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide (PubChem CID 79580525) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
PubChem CID79580525
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
SMILESCC1CN(CC(N)=S)S(=O)(=O)C1
InChIInChI=1S/C6H12N2O2S2/c1-5-2-8(3-6(7)11)12(9,10)4-5/h5H,2-4H2,1H3,(H2,7,11)
InChIKeyABVUHWZXCGTDNM-UHFFFAOYSA-N
XLogP-0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide (CID 79580525) is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide.
What is the SMILES notation for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The canonical SMILES for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide is CC1CN(CC(N)=S)S(=O)(=O)C1.
What is the InChIKey of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The InChIKey is ABVUHWZXCGTDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-5-2-8(3-6(7)11)12(9,10)4-5/h5H,2-4H2,1H3,(H2,7,11).
What are the key properties of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide has a molecular weight of 208.31 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide is sourced from PubChem (CID 79580525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).