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

C16H14F3NOS2 — CID 3745762

IUPAC3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2C(F)(F)F)N1CCc1cccs1
InChIInChI=1S/C16H14F3NOS2/c17-16(18,19)13-6-2-1-5-12(13)15-20(14(21)10-23-15)8-7-11-4-3-9-22-11/h1-6,9,15H,7-8,10H2
InChIKeyOVEYSFTWNFWJRD-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.58
Rot. Bonds4

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

3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3745762) has the molecular formula C16H14F3NOS2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3745762
Molecular FormulaC16H14F3NOS2
Molecular Weight357.42 g/mol
Exact Mass357.05
IUPAC Name3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2C(F)(F)F)N1CCc1cccs1
InChIInChI=1S/C16H14F3NOS2/c17-16(18,19)13-6-2-1-5-12(13)15-20(14(21)10-23-15)8-7-11-4-3-9-22-11/h1-6,9,15H,7-8,10H2
InChIKeyOVEYSFTWNFWJRD-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3745762) is 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2C(F)(F)F)N1CCc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is OVEYSFTWNFWJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS2/c17-16(18,19)13-6-2-1-5-12(13)15-20(14(21)10-23-15)8-7-11-4-3-9-22-11/h1-6,9,15H,7-8,10H2.
What are the key properties of 3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(2-thiophen-2-ylethyl)-2-[2-(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-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3745762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).