3-(trifluoromethyl)-1,3-thiazolidine

C4H6F3NS — CID 174928623

IUPAC3-(trifluoromethyl)-1,3-thiazolidine
SMILESFC(F)(F)N1CCSC1
InChIInChI=1S/C4H6F3NS/c5-4(6,7)8-1-2-9-3-8/h1-3H2
InChIKeyQRRIPLHVLKEJAC-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.51
Rot. Bonds

About 3-(trifluoromethyl)-1,3-thiazolidine

3-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 174928623) has the molecular formula C4H6F3NS and a molecular weight of 157.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,3-thiazolidine
PubChem CID174928623
Molecular FormulaC4H6F3NS
Molecular Weight157.16 g/mol
Exact Mass157.02
IUPAC Name3-(trifluoromethyl)-1,3-thiazolidine
SMILESFC(F)(F)N1CCSC1
InChIInChI=1S/C4H6F3NS/c5-4(6,7)8-1-2-9-3-8/h1-3H2
InChIKeyQRRIPLHVLKEJAC-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-(trifluoromethyl)-1,3-thiazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 3-(trifluoromethyl)-1,3-thiazolidine (CID 174928623) is 3-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 3-(trifluoromethyl)-1,3-thiazolidine is FC(F)(F)N1CCSC1.
What is the InChIKey of 3-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is QRRIPLHVLKEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NS/c5-4(6,7)8-1-2-9-3-8/h1-3H2.
What are the key properties of 3-(trifluoromethyl)-1,3-thiazolidine?
3-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 157.16 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 174928623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).