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

C12H11FN2O2S — CID 2322406

IUPAC(5Z)-3-(2-aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESC1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCN)F
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-10-11(16)15(6-5-14)12(17)18-10/h1-4,7H,5-6,14H2/b10-7-
InChIKeySWPLPGAZGUFJJB-YFHOEESVSA-N
MW266.29 g/mol
LogP1.50
Rot. Bonds3

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

3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2322406) has the molecular formula C12H11FN2O2S and a molecular weight of 266.29 g/mol. Its IUPAC name is (5Z)-3-(2-aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2322406
Molecular FormulaC12H11FN2O2S
Molecular Weight266.29 g/mol
Exact Mass266.05
IUPAC Name(5Z)-3-(2-aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESC1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCN)F
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-10-11(16)15(6-5-14)12(17)18-10/h1-4,7H,5-6,14H2/b10-7-
InChIKeySWPLPGAZGUFJJB-YFHOEESVSA-N
XLogP1.50
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity378

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1239884
(Z)-5-(3-Fluorobenzylidene)thiazolidine-2,4-dione
CID 1379720
(Z)-5-(2-fluorobenzylidene)thiazolidine-2,4-dione
CID 1237187
1-[(E)-3-phenylprop-2-enoyl]imidazolidin-2-one
CID 23459991
(5Z)-3-(2-aminoethyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 49863169
5-(4-Fluorobenzylidene)thiazolidine-2,4-dione
CID 1239883
3-(5-Benzylidene-2,4-dioxothiazolidin-3-yl)propanenitrile
CID 5820198
(5Z)-3-[2-(dimethylamino)ethyl]-5-[(E)-4-phenylbut-3-enylidene]-1,3-thiazolidine-2,4-dione
CID 45485996
1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]imidazolidin-2-one
CID 162667859
3-(2-Aminoethyl)-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1551244
3-(2-Aminoethyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2432691
5-[(4-Fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2787033

Frequently Asked Questions

What is the IUPAC name of 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2322406) is (5Z)-3-(2-aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCN)F.
What is the InChIKey of 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SWPLPGAZGUFJJB-YFHOEESVSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-10-11(16)15(6-5-14)12(17)18-10/h1-4,7H,5-6,14H2/b10-7-.
What are the key properties of 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 266.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-Aminoethyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2322406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).