(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one

C16H15F3N2OS — CID 99964984

IUPAC(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2OS/c1-2-21-14(22)10-23-15(21)11-7-8-20(9-11)13-6-4-3-5-12(13)16(17,18)19/h3-9,15H,2,10H2,1H3/t15-/m0/s1
InChIKeyLKYUBAADPIRMGJ-HNNXBMFYSA-N
MW340.37 g/mol
LogP4.09
Rot. Bonds3

About (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one

(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one (PubChem CID 99964984) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
PubChem CID99964984
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2OS/c1-2-21-14(22)10-23-15(21)11-7-8-20(9-11)13-6-4-3-5-12(13)16(17,18)19/h3-9,15H,2,10H2,1H3/t15-/m0/s1
InChIKeyLKYUBAADPIRMGJ-HNNXBMFYSA-N
XLogP4.09
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one (CID 99964984) is (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one is CCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is LKYUBAADPIRMGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-2-21-14(22)10-23-15(21)11-7-8-20(9-11)13-6-4-3-5-12(13)16(17,18)19/h3-9,15H,2,10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one has a molecular weight of 340.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).