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

C16H11BrF3NOS — CID 3709715

IUPAC2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2Br)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11BrF3NOS/c17-13-7-2-1-6-12(13)15-21(14(22)9-23-15)11-5-3-4-10(8-11)16(18,19)20/h1-8,15H,9H2
InChIKeyHERQZPGJKRFISM-UHFFFAOYSA-N
MW402.24 g/mol
LogP5.25
Rot. Bonds2

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

2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3709715) has the molecular formula C16H11BrF3NOS and a molecular weight of 402.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3709715
Molecular FormulaC16H11BrF3NOS
Molecular Weight402.24 g/mol
Exact Mass400.97
IUPAC Name2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2Br)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11BrF3NOS/c17-13-7-2-1-6-12(13)15-21(14(22)9-23-15)11-5-3-4-10(8-11)16(18,19)20/h1-8,15H,9H2
InChIKeyHERQZPGJKRFISM-UHFFFAOYSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.24
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3709715) is 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2Br)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is HERQZPGJKRFISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3NOS/c17-13-7-2-1-6-12(13)15-21(14(22)9-23-15)11-5-3-4-10(8-11)16(18,19)20/h1-8,15H,9H2.
What are the key properties of 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 402.24 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3709715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).