5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

C9H9F3N2O2S — CID 142474445

IUPAC5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC1CC(O)N(c2ncc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H9F3N2O2S/c1-4-2-6(15)14(7(4)16)8-13-3-5(17-8)9(10,11)12/h3-4,6,15H,2H2,1H3
InChIKeyJDFCOARTRZOWDF-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.85
Rot. Bonds1

About 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 142474445) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID142474445
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC1CC(O)N(c2ncc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H9F3N2O2S/c1-4-2-6(15)14(7(4)16)8-13-3-5(17-8)9(10,11)12/h3-4,6,15H,2H2,1H3
InChIKeyJDFCOARTRZOWDF-UHFFFAOYSA-N
XLogP1.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 142474445) is 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is CC1CC(O)N(c2ncc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is JDFCOARTRZOWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-4-2-6(15)14(7(4)16)8-13-3-5(17-8)9(10,11)12/h3-4,6,15H,2H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 266.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 142474445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).