2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

C11H9FN2O3S2 — CID 3792578

IUPAC2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)NN1C(=O)CSC1=S
InChIInChI=1S/C11H9FN2O3S2/c12-7-1-3-8(4-2-7)17-5-9(15)13-14-10(16)6-19-11(14)18/h1-4H,5-6H2,(H,13,15)
InChIKeyBGUQCUVAPIZOBO-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.10
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 3792578) has the molecular formula C11H9FN2O3S2 and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID3792578
Molecular FormulaC11H9FN2O3S2
Molecular Weight300.34 g/mol
Exact Mass300.00
IUPAC Name2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)NN1C(=O)CSC1=S
InChIInChI=1S/C11H9FN2O3S2/c12-7-1-3-8(4-2-7)17-5-9(15)13-14-10(16)6-19-11(14)18/h1-4H,5-6H2,(H,13,15)
InChIKeyBGUQCUVAPIZOBO-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 3792578) is 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is O=C(COc1ccc(F)cc1)NN1C(=O)CSC1=S.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is BGUQCUVAPIZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S2/c12-7-1-3-8(4-2-7)17-5-9(15)13-14-10(16)6-19-11(14)18/h1-4H,5-6H2,(H,13,15).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 3792578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).