3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one

C9H7F3N2OS — CID 54270466

IUPAC3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)6-1-2-7(13-3-6)14-5-16-4-8(14)15/h1-3H,4-5H2
InChIKeyRJTBPOYPAFXVQY-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.14
Rot. Bonds1

About 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one

3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one (PubChem CID 54270466) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one
PubChem CID54270466
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)6-1-2-7(13-3-6)14-5-16-4-8(14)15/h1-3H,4-5H2
InChIKeyRJTBPOYPAFXVQY-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one (CID 54270466) is 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one is O=C1CSCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
The InChIKey is RJTBPOYPAFXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c10-9(11,12)6-1-2-7(13-3-6)14-5-16-4-8(14)15/h1-3H,4-5H2.
What are the key properties of 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one has a molecular weight of 248.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 54270466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).