2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole

C14H13F3N2OS — CID 91253125

IUPAC2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccccc1OC1CCN(c2nccs2)C1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)20-10-5-7-19(9-10)13-18-6-8-21-13/h1-4,6,8,10H,5,7,9H2
InChIKeyBWJGRZLDHHFUGU-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.82
Rot. Bonds3

About 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole

2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 91253125) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole
PubChem CID91253125
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccccc1OC1CCN(c2nccs2)C1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)20-10-5-7-19(9-10)13-18-6-8-21-13/h1-4,6,8,10H,5,7,9H2
InChIKeyBWJGRZLDHHFUGU-UHFFFAOYSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole 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 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole (CID 91253125) is 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole is FC(F)(F)c1ccccc1OC1CCN(c2nccs2)C1.
What is the InChIKey of 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is BWJGRZLDHHFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)20-10-5-7-19(9-10)13-18-6-8-21-13/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole?
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 314.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 91253125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).