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

C10H20N2O2S2 — CID 79579773

IUPAC2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
SMILESCCC(CC)(C(N)=S)N1CC(C)CS1(=O)=O
InChIInChI=1S/C10H20N2O2S2/c1-4-10(5-2,9(11)15)12-6-8(3)7-16(12,13)14/h8H,4-7H2,1-3H3,(H2,11,15)
InChIKeyMYHMYUIVKNXISP-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.11
Rot. Bonds4

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

2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide (PubChem CID 79579773) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
PubChem CID79579773
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
SMILESCCC(CC)(C(N)=S)N1CC(C)CS1(=O)=O
InChIInChI=1S/C10H20N2O2S2/c1-4-10(5-2,9(11)15)12-6-8(3)7-16(12,13)14/h8H,4-7H2,1-3H3,(H2,11,15)
InChIKeyMYHMYUIVKNXISP-UHFFFAOYSA-N
XLogP1.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.11
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-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The IUPAC name of 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide (CID 79579773) is 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The canonical SMILES for 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide is CCC(CC)(C(N)=S)N1CC(C)CS1(=O)=O.
What is the InChIKey of 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The InChIKey is MYHMYUIVKNXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-4-10(5-2,9(11)15)12-6-8(3)7-16(12,13)14/h8H,4-7H2,1-3H3,(H2,11,15).
What are the key properties of 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide has a molecular weight of 264.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide is sourced from PubChem (CID 79579773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).