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

C12H11FN2O2S — CID 43145555

IUPAC(5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-2-8(6-9)7-10-11(16)15(5-4-14)12(17)18-10/h1-3,6-7H,4-5,14H2/b10-7-
InChIKeyRIZXOWYZEHZIEX-YFHOEESVSA-N
MW266.30 g/mol
LogP1.82
Rot. Bonds3

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

(5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 43145555) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID43145555
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name(5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-2-8(6-9)7-10-11(16)15(5-4-14)12(17)18-10/h1-3,6-7H,4-5,14H2/b10-7-
InChIKeyRIZXOWYZEHZIEX-YFHOEESVSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 43145555) is (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is NCCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O.
What is the InChIKey of (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RIZXOWYZEHZIEX-YFHOEESVSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-3-1-2-8(6-9)7-10-11(16)15(5-4-14)12(17)18-10/h1-3,6-7H,4-5,14H2/b10-7-.
What are the key properties of (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-aminoethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43145555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).