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

C17H11F6NOS — CID 25071743

IUPAC2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F6NOS/c18-16(19,20)11-4-6-13(7-5-11)24-14(25)9-26-15(24)10-2-1-3-12(8-10)17(21,22)23/h1-8,15H,9H2
InChIKeyUWNDZSAZZCYPER-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.50
Rot. Bonds2

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

2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 25071743) has the molecular formula C17H11F6NOS and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID25071743
Molecular FormulaC17H11F6NOS
Molecular Weight391.34 g/mol
Exact Mass391.05
IUPAC Name2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F6NOS/c18-16(19,20)11-4-6-13(7-5-11)24-14(25)9-26-15(24)10-2-1-3-12(8-10)17(21,22)23/h1-8,15H,9H2
InChIKeyUWNDZSAZZCYPER-UHFFFAOYSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25069515
3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5194516
2-(3-phenoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 4220193
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 11842543
2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 93127005
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127885
4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126951
N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93125889
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 42803978
N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 1275973

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 25071743) is 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is UWNDZSAZZCYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6NOS/c18-16(19,20)11-4-6-13(7-5-11)24-14(25)9-26-15(24)10-2-1-3-12(8-10)17(21,22)23/h1-8,15H,9H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 391.34 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25071743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).