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

C16H15F3N2OS — CID 99964964

IUPAC(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2OS/c1-2-21-14(22)10-23-15(21)11-6-7-20(9-11)13-5-3-4-12(8-13)16(17,18)19/h3-9,15H,2,10H2,1H3/t15-/m0/s1
InChIKeyBFPPYBKHXNEBMG-HNNXBMFYSA-N
MW340.37 g/mol
LogP4.09
Rot. Bonds3

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

(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one (PubChem CID 99964964) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
PubChem CID99964964
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2OS/c1-2-21-14(22)10-23-15(21)11-6-7-20(9-11)13-5-3-4-12(8-13)16(17,18)19/h3-9,15H,2,10H2,1H3/t15-/m0/s1
InChIKeyBFPPYBKHXNEBMG-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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Related Compounds

3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132651110
(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964984
3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132650128
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 132650324
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964440
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5233456
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25071743
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one (CID 99964964) is (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one is CCN1C(=O)CS[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is BFPPYBKHXNEBMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-2-21-14(22)10-23-15(21)11-6-7-20(9-11)13-5-3-4-12(8-13)16(17,18)19/h3-9,15H,2,10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
(2S)-3-ethyl-2-[1-[3-(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-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).