(5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C14H8FNO2S2 — CID 5289772

IUPAC(5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccco2)SC(=S)N1c1cccc(F)c1
InChIInChI=1S/C14H8FNO2S2/c15-9-3-1-4-10(7-9)16-13(17)12(20-14(16)19)8-11-5-2-6-18-11/h1-8H/b12-8+
InChIKeyQDEBEOKUWAGXNV-XYOKQWHBSA-N
MW305.36 g/mol
LogP3.82
Rot. Bonds2

About (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 5289772) has the molecular formula C14H8FNO2S2 and a molecular weight of 305.36 g/mol. Its IUPAC name is (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID5289772
Molecular FormulaC14H8FNO2S2
Molecular Weight305.36 g/mol
Exact Mass305.00
IUPAC Name(5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccco2)SC(=S)N1c1cccc(F)c1
InChIInChI=1S/C14H8FNO2S2/c15-9-3-1-4-10(7-9)16-13(17)12(20-14(16)19)8-11-5-2-6-18-11/h1-8H/b12-8+
InChIKeyQDEBEOKUWAGXNV-XYOKQWHBSA-N
XLogP3.82
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 5289772) is (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccco2)SC(=S)N1c1cccc(F)c1.
What is the InChIKey of (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QDEBEOKUWAGXNV-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H8FNO2S2/c15-9-3-1-4-10(7-9)16-13(17)12(20-14(16)19)8-11-5-2-6-18-11/h1-8H/b12-8+.
What are the key properties of (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 5289772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).