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

C23H18F3NOS — CID 5079470

IUPAC(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCSC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NOS/c24-23(25,26)20-8-4-7-19(15-20)22-27(13-14-29-22)21(28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2
InChIKeyAIWPWSUFNDJPLW-UHFFFAOYSA-N
MW413.46 g/mol
LogP6.26
Rot. Bonds3

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

(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 5079470) has the molecular formula C23H18F3NOS and a molecular weight of 413.46 g/mol. Its IUPAC name is (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID5079470
Molecular FormulaC23H18F3NOS
Molecular Weight413.46 g/mol
Exact Mass413.11
IUPAC Name(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCSC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NOS/c24-23(25,26)20-8-4-7-19(15-20)22-27(13-14-29-22)21(28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2
InChIKeyAIWPWSUFNDJPLW-UHFFFAOYSA-N
XLogP6.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
(4-phenylphenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 4129927
(2,4-dichlorophenyl)-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7231458
(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122329188
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 5079470) is (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCSC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is AIWPWSUFNDJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NOS/c24-23(25,26)20-8-4-7-19(15-20)22-27(13-14-29-22)21(28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2.
What are the key properties of (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 413.46 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 5079470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).