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

C20H14F3NOS — CID 5194516

IUPAC3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc2ccccc2c1
InChIInChI=1S/C20H14F3NOS/c21-20(22,23)16-7-3-6-15(10-16)19-24(18(25)12-26-19)17-9-8-13-4-1-2-5-14(13)11-17/h1-11,19H,12H2
InChIKeyZKHYJCGWBNQOIS-UHFFFAOYSA-N
MW373.40 g/mol
LogP5.64
Rot. Bonds2

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

3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 5194516) has the molecular formula C20H14F3NOS and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID5194516
Molecular FormulaC20H14F3NOS
Molecular Weight373.40 g/mol
Exact Mass373.07
IUPAC Name3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc2ccccc2c1
InChIInChI=1S/C20H14F3NOS/c21-20(22,23)16-7-3-6-15(10-16)19-24(18(25)12-26-19)17-9-8-13-4-1-2-5-14(13)11-17/h1-11,19H,12H2
InChIKeyZKHYJCGWBNQOIS-UHFFFAOYSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 5194516) is 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is ZKHYJCGWBNQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NOS/c21-20(22,23)16-7-3-6-15(10-16)19-24(18(25)12-26-19)17-9-8-13-4-1-2-5-14(13)11-17/h1-11,19H,12H2.
What are the key properties of 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 373.40 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5194516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).