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

C18H16F3NOS — CID 3627515

IUPAC2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NOS/c19-18(20,21)15-8-6-14(7-9-15)17-22(10-11-24-17)16(23)12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyMAZYKJVIPKJCMG-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.52
Rot. Bonds3

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

2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 3627515) has the molecular formula C18H16F3NOS and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID3627515
Molecular FormulaC18H16F3NOS
Molecular Weight351.39 g/mol
Exact Mass351.09
IUPAC Name2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NOS/c19-18(20,21)15-8-6-14(7-9-15)17-22(10-11-24-17)16(23)12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyMAZYKJVIPKJCMG-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329235
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 42781088
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042
3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one
CID 4258928
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 7288367
3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 5060370
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(2R)-N-(4-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028914
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone (CID 3627515) is 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone is O=C(Cc1ccccc1)N1CCSC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is MAZYKJVIPKJCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NOS/c19-18(20,21)15-8-6-14(7-9-15)17-22(10-11-24-17)16(23)12-13-4-2-1-3-5-13/h1-9,17H,10-12H2.
What are the key properties of 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone?
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 351.39 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 3627515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).