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

C16H10F5NOS — CID 3854696

IUPAC3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2F)N1Cc1cccc(F)c1F
InChIInChI=1S/C16H10F5NOS/c17-10-3-1-2-8(13(10)19)6-22-12(23)7-24-16(22)9-4-5-11(18)15(21)14(9)20/h1-5,16H,6-7H2
InChIKeyQUAUVFYHWOPMHG-UHFFFAOYSA-N
MW359.32 g/mol
LogP4.16
Rot. Bonds3

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

3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 3854696) has the molecular formula C16H10F5NOS and a molecular weight of 359.32 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
PubChem CID3854696
Molecular FormulaC16H10F5NOS
Molecular Weight359.32 g/mol
Exact Mass359.04
IUPAC Name3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2F)N1Cc1cccc(F)c1F
InChIInChI=1S/C16H10F5NOS/c17-10-3-1-2-8(13(10)19)6-22-12(23)7-24-16(22)9-4-5-11(18)15(21)14(9)20/h1-5,16H,6-7H2
InChIKeyQUAUVFYHWOPMHG-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one (CID 3854696) is 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(F)c2F)N1Cc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is QUAUVFYHWOPMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5NOS/c17-10-3-1-2-8(13(10)19)6-22-12(23)7-24-16(22)9-4-5-11(18)15(21)14(9)20/h1-5,16H,6-7H2.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 359.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3854696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).