3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione

C18H22F3N3O3S — CID 11554265

IUPAC3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C18H22F3N3O3S/c19-18(20,21)13-27-15-5-2-1-4-14(15)23-10-8-22(9-11-23)6-3-7-24-16(25)12-28-17(24)26/h1-2,4-5H,3,6-13H2
InChIKeyWMAWOVHKXZYVAB-UHFFFAOYSA-N
MW417.45 g/mol
LogP2.84
Rot. Bonds7

About 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione

3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione (PubChem CID 11554265) has the molecular formula C18H22F3N3O3S and a molecular weight of 417.45 g/mol. Its IUPAC name is 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione
PubChem CID11554265
Molecular FormulaC18H22F3N3O3S
Molecular Weight417.45 g/mol
Exact Mass417.13
IUPAC Name3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C18H22F3N3O3S/c19-18(20,21)13-27-15-5-2-1-4-14(15)23-10-8-22(9-11-23)6-3-7-24-16(25)12-28-17(24)26/h1-2,4-5H,3,6-13H2
InChIKeyWMAWOVHKXZYVAB-UHFFFAOYSA-N
XLogP2.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-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

2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 10390763
1-(3-bromopropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine
CID 70202671
5-methylidene-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 172652679
1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione
CID 11683423
1-benzyl-5,6-dimethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70202757
2-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11190585
5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70202347
1-benzyl-5-ethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
CID 70201571
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
1-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 70202309
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 15840655
2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 51357647

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione (CID 11554265) is 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WMAWOVHKXZYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3S/c19-18(20,21)13-27-15-5-2-1-4-14(15)23-10-8-22(9-11-23)6-3-7-24-16(25)12-28-17(24)26/h1-2,4-5H,3,6-13H2.
What are the key properties of 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione?
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 417.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11554265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).