(5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

C10H6FNO2S — CID 1379720

IUPAC(5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(F)c2)S1
InChIInChI=1S/C10H6FNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKeyFHRKKLBIQCOIMF-YVMONPNESA-N
MW223.23 g/mol
LogP2.15
Rot. Bonds1

About (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1379720) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1379720
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name(5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(F)c2)S1
InChIInChI=1S/C10H6FNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKeyFHRKKLBIQCOIMF-YVMONPNESA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-Benzylidenerhodanine
CID 1273210
SMI-4a
CID 1361334
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1239884
(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243909
(Z)-5-(4-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione
CID 6006914
5-(4-Fluorobenzylidene)rhodanine
CID 1207359
(5Z)-5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione
CID 2864586
5-{[3-(Trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1361332
5-(3-Bromo-benzylidene)-thiazolidine-2,4-dione
CID 1201119
5-(3-Bromobenzylidene)thiazolidine-2,4-dione
CID 1201120
5-(4-Ethylbenzylidene)-1,3-thiazolidine-2,4-dione
CID 1206018
(5Z)-5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1379638

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1379720) is (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc(F)c2)S1.
What is the InChIKey of (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FHRKKLBIQCOIMF-YVMONPNESA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-.
What are the key properties of (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 223.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1379720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).