2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol

C10H10F3NOS — CID 174264849

IUPAC2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
SMILESOC1CN(C(F)(F)F)C(c2ccccc2)S1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)14-6-8(15)16-9(14)7-4-2-1-3-5-7/h1-5,8-9,15H,6H2
InChIKeyCGRVSGHEGPZLCY-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.57
Rot. Bonds1

About 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol

2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol (PubChem CID 174264849) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
PubChem CID174264849
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
SMILESOC1CN(C(F)(F)F)C(c2ccccc2)S1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)14-6-8(15)16-9(14)7-4-2-1-3-5-7/h1-5,8-9,15H,6H2
InChIKeyCGRVSGHEGPZLCY-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-3-methyl-1,3-thiazolidine
CID 3024550
Mls003171269
CID 340406
3-(2-Hydroxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 3481484
3-(2-Hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3693294
2-(3-Fluorophenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 24711921
2-(2,4-Difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 24711933
2-(2,4-Difluorophenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 24712042
2-(2-Fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
CID 24712043
3-(2-Hydroxyethyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 24712047
3-(2-Hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 24712048
2-(3-Fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 24712050
3-(2-Hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 24712228

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol (CID 174264849) is 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol is OC1CN(C(F)(F)F)C(c2ccccc2)S1.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
The InChIKey is CGRVSGHEGPZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)14-6-8(15)16-9(14)7-4-2-1-3-5-7/h1-5,8-9,15H,6H2.
What are the key properties of 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol has a molecular weight of 249.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol is sourced from PubChem (CID 174264849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).