3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one

C8H6F3N3OS — CID 54221835

IUPAC3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-6(13-3-12-5)14-4-16-2-7(14)15/h1,3H,2,4H2
InChIKeyQDCYJDIZRANVMG-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.53
Rot. Bonds1

About 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one

3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one (PubChem CID 54221835) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one
PubChem CID54221835
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-6(13-3-12-5)14-4-16-2-7(14)15/h1,3H,2,4H2
InChIKeyQDCYJDIZRANVMG-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-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one (CID 54221835) is 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one is O=C1CSCN1c1cc(C(F)(F)F)ncn1.
What is the InChIKey of 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one?
The InChIKey is QDCYJDIZRANVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-6(13-3-12-5)14-4-16-2-7(14)15/h1,3H,2,4H2.
What are the key properties of 3-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one?
3-[6-(trifluoromethyl)pyrimidin-4-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-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 54221835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).