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

C15H11F3N2OS — CID 2732594

IUPAC2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccn2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)10-4-6-11(7-5-10)20-13(21)9-22-14(20)12-3-1-2-8-19-12/h1-8,14H,9H2
InChIKeyNOAJKCWURNZYAQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.88
Rot. Bonds2

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

2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 2732594) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID2732594
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccn2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)10-4-6-11(7-5-10)20-13(21)9-22-14(20)12-3-1-2-8-19-12/h1-8,14H,9H2
InChIKeyNOAJKCWURNZYAQ-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 2732594) is 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccn2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is NOAJKCWURNZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c16-15(17,18)10-4-6-11(7-5-10)20-13(21)9-22-14(20)12-3-1-2-8-19-12/h1-8,14H,9H2.
What are the key properties of 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 324.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).