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

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Related Compounds

[3-[2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]methanol
CID 23634374
2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
CID 138988972
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
piperidin-1-yl-[2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxyphenyl]methanone
CID 72846007
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]acetaldehyde
CID 90911845
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole
CID 117189198
5-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135771804
(3S)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxamide
CID 25052480
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213

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).