2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

C18H16F3NO2S — CID 3714690

IUPAC2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(COCc2ccccc2)N1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C18H16F3NO2S/c19-14-6-13(7-15(20)18(14)21)8-22-16(23)11-25-17(22)10-24-9-12-4-2-1-3-5-12/h1-7,17H,8-11H2
InChIKeyLXRCYAOVORHEJD-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.72
Rot. Bonds6

About 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3714690) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3714690
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(COCc2ccccc2)N1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C18H16F3NO2S/c19-14-6-13(7-15(20)18(14)21)8-22-16(23)11-25-17(22)10-24-9-12-4-2-1-3-5-12/h1-7,17H,8-11H2
InChIKeyLXRCYAOVORHEJD-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3714690) is 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(COCc2ccccc2)N1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is LXRCYAOVORHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-14-6-13(7-15(20)18(14)21)8-22-16(23)11-25-17(22)10-24-9-12-4-2-1-3-5-12/h1-7,17H,8-11H2.
What are the key properties of 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 367.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3714690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).