3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C16H14F3NOS2 — CID 3456657

IUPAC3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCc1cccs1
InChIInChI=1S/C16H14F3NOS2/c17-16(18,19)12-5-3-11(4-6-12)15-20(14(21)10-23-15)8-7-13-2-1-9-22-13/h1-6,9,15H,7-8,10H2
InChIKeyLETOVCAIUHHWSS-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.58
Rot. Bonds4

About 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3456657) has the molecular formula C16H14F3NOS2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3456657
Molecular FormulaC16H14F3NOS2
Molecular Weight357.42 g/mol
Exact Mass357.05
IUPAC Name3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCc1cccs1
InChIInChI=1S/C16H14F3NOS2/c17-16(18,19)12-5-3-11(4-6-12)15-20(14(21)10-23-15)8-7-13-2-1-9-22-13/h1-6,9,15H,7-8,10H2
InChIKeyLETOVCAIUHHWSS-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
2-[(4-methylbenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 4229956
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
(Z)-3-phenethyl-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-4-one
CID 1720469
(2-thienyl)[(S)-2-[p-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1231450
2-[2-[Benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2740357
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5344231
1-[2-(3-Fluorophenyl)pyrrolidin-1-YL]-2-(thiophen-2-YL)ethan-1-one
CID 20895671
2-(2,6-Difluorophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058680
2-(2-Chloro-6-fluoro-phenyl)-3-(5-methylthiophen-2-ylmethyl)-thiazolidin-4-one
CID 25058719

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3456657) is 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is LETOVCAIUHHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS2/c17-16(18,19)12-5-3-11(4-6-12)15-20(14(21)10-23-15)8-7-13-2-1-9-22-13/h1-6,9,15H,7-8,10H2.
What are the key properties of 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 357.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3456657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).