(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione

C15H11FN2O2S — CID 7161149

IUPAC(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@H](Nc2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C15H11FN2O2S/c16-11-8-4-5-9-12(11)17-13-14(19)18(15(20)21-13)10-6-2-1-3-7-10/h1-9,13,17H/t13-/m0/s1
InChIKeyWLABGAVEJXXTOD-ZDUSSCGKSA-N
MW302.33 g/mol
LogP3.46
Rot. Bonds3

About (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione

(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 7161149) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID7161149
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@H](Nc2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C15H11FN2O2S/c16-11-8-4-5-9-12(11)17-13-14(19)18(15(20)21-13)10-6-2-1-3-7-10/h1-9,13,17H/t13-/m0/s1
InChIKeyWLABGAVEJXXTOD-ZDUSSCGKSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2013805
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7345725
5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3123235
(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426611
methyl 2-[[(5S)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl]amino]benzoate
CID 2001632
(5S)-3-(4-bromophenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 1202327
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
CID 3120494
3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 3446060
3-(4-methylphenyl)-5-(2-nitroanilino)-1,3-thiazolidine-2,4-dione
CID 3413736
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426561

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (CID 7161149) is (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is O=C1S[C@H](Nc2ccccc2F)C(=O)N1c1ccccc1.
What is the InChIKey of (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is WLABGAVEJXXTOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-8-4-5-9-12(11)17-13-14(19)18(15(20)21-13)10-6-2-1-3-7-10/h1-9,13,17H/t13-/m0/s1.
What are the key properties of (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7161149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).