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

C17H11F6NOS — CID 2732522

IUPAC2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F6NOS/c18-16(19,20)11-3-1-10(2-4-11)15-24(14(25)9-26-15)13-7-5-12(6-8-13)17(21,22)23/h1-8,15H,9H2
InChIKeyQGFDDCDNTZPCDN-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.50
Rot. Bonds2

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

2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 2732522) has the molecular formula C17H11F6NOS and a molecular weight of 391.34 g/mol. Its IUPAC name is 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID2732522
Molecular FormulaC17H11F6NOS
Molecular Weight391.34 g/mol
Exact Mass391.05
IUPAC Name2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F6NOS/c18-16(19,20)11-3-1-10(2-4-11)15-24(14(25)9-26-15)13-7-5-12(6-8-13)17(21,22)23/h1-8,15H,9H2
InChIKeyQGFDDCDNTZPCDN-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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 2732522) is 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QGFDDCDNTZPCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6NOS/c18-16(19,20)11-3-1-10(2-4-11)15-24(14(25)9-26-15)13-7-5-12(6-8-13)17(21,22)23/h1-8,15H,9H2.
What are the key properties of 2,3-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2,3-bis[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-bis[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).