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

C22H18F6N2O2S2 — CID 2826058

IUPAC3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCN1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F6N2O2S2/c23-21(24,25)15-5-1-13(2-6-15)19-29(17(31)11-33-19)9-10-30-18(32)12-34-20(30)14-3-7-16(8-4-14)22(26,27)28/h1-8,19-20H,9-12H2
InChIKeyPWVQOBMYIHXDIQ-UHFFFAOYSA-N
MW520.52 g/mol
LogP5.57
Rot. Bonds5

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

3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 2826058) has the molecular formula C22H18F6N2O2S2 and a molecular weight of 520.52 g/mol. Its IUPAC name is 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID2826058
Molecular FormulaC22H18F6N2O2S2
Molecular Weight520.52 g/mol
Exact Mass520.07
IUPAC Name3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCN1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F6N2O2S2/c23-21(24,25)15-5-1-13(2-6-15)19-29(17(31)11-33-19)9-10-30-18(32)12-34-20(30)14-3-7-16(8-4-14)22(26,27)28/h1-8,19-20H,9-12H2
InChIKeyPWVQOBMYIHXDIQ-UHFFFAOYSA-N
XLogP5.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 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) is 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCN1C(=O)CSC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is PWVQOBMYIHXDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N2O2S2/c23-21(24,25)15-5-1-13(2-6-15)19-29(17(31)11-33-19)9-10-30-18(32)12-34-20(30)14-3-7-16(8-4-14)22(26,27)28/h1-8,19-20H,9-12H2.
What are the key properties of 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 520.52 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2826058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).