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

C8H6F3N3OS — CID 54497903

IUPAC3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-2-12-7(13-5)14-4-16-3-6(14)15/h1-2H,3-4H2
InChIKeyYAKISYSEOMUUPH-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.53
Rot. Bonds1

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

3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one (PubChem CID 54497903) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
PubChem CID54497903
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-2-12-7(13-5)14-4-16-3-6(14)15/h1-2H,3-4H2
InChIKeyYAKISYSEOMUUPH-UHFFFAOYSA-N
XLogP1.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one (CID 54497903) is 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one is O=C1CSCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is YAKISYSEOMUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-2-12-7(13-5)14-4-16-3-6(14)15/h1-2H,3-4H2.
What are the key properties of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 249.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 54497903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).