2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

C7H10N2O2S2 — CID 130019502

IUPAC2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCCN1C(=O)C(CC(N)=O)SC1=S
InChIInChI=1S/C7H10N2O2S2/c1-2-9-6(11)4(3-5(8)10)13-7(9)12/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyPMAMMRVTRSLBAU-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.11
Rot. Bonds3

About 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (PubChem CID 130019502) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
PubChem CID130019502
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCCN1C(=O)C(CC(N)=O)SC1=S
InChIInChI=1S/C7H10N2O2S2/c1-2-9-6(11)4(3-5(8)10)13-7(9)12/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyPMAMMRVTRSLBAU-UHFFFAOYSA-N
XLogP0.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (CID 130019502) is 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is CCN1C(=O)C(CC(N)=O)SC1=S.
What is the InChIKey of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is PMAMMRVTRSLBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-9-6(11)4(3-5(8)10)13-7(9)12/h4H,2-3H2,1H3,(H2,8,10).
What are the key properties of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 130019502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).