2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C6H4N2OS3 — CID 88727745

IUPAC2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1nccs1
InChIInChI=1S/C6H4N2OS3/c9-4-3-12-6(10)8(4)5-7-1-2-11-5/h1-2H,3H2
InChIKeyIZHPOLCLPPQNHR-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.51
Rot. Bonds1

About 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 88727745) has the molecular formula C6H4N2OS3 and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID88727745
Molecular FormulaC6H4N2OS3
Molecular Weight216.31 g/mol
Exact Mass215.95
IUPAC Name2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1nccs1
InChIInChI=1S/C6H4N2OS3/c9-4-3-12-6(10)8(4)5-7-1-2-11-5/h1-2H,3H2
InChIKeyIZHPOLCLPPQNHR-UHFFFAOYSA-N
XLogP1.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 88727745) is 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is O=C1CSC(=S)N1c1nccs1.
What is the InChIKey of 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is IZHPOLCLPPQNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS3/c9-4-3-12-6(10)8(4)5-7-1-2-11-5/h1-2H,3H2.
What are the key properties of 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 216.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 88727745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).