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

C20H14F3NOS — CID 5233456

IUPAC2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc3ccccc23)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3NOS/c21-20(22,23)14-7-4-8-15(11-14)24-18(25)12-26-19(24)17-10-3-6-13-5-1-2-9-16(13)17/h1-11,19H,12H2
InChIKeyUBZFGADAOKNJNR-UHFFFAOYSA-N
MW373.40 g/mol
LogP5.64
Rot. Bonds2

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

2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 5233456) has the molecular formula C20H14F3NOS and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID5233456
Molecular FormulaC20H14F3NOS
Molecular Weight373.40 g/mol
Exact Mass373.07
IUPAC Name2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc3ccccc23)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3NOS/c21-20(22,23)14-7-4-8-15(11-14)24-18(25)12-26-19(24)17-10-3-6-13-5-1-2-9-16(13)17/h1-11,19H,12H2
InChIKeyUBZFGADAOKNJNR-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 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 5233456) is 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc3ccccc23)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is UBZFGADAOKNJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NOS/c21-20(22,23)14-7-4-8-15(11-14)24-18(25)12-26-19(24)17-10-3-6-13-5-1-2-9-16(13)17/h1-11,19H,12H2.
What are the key properties of 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-naphthalen-1-yl-3-[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 2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5233456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).