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

C16H11F4NOS — CID 3858526

IUPAC3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2F)N1Cc1cccc(F)c1
InChIInChI=1S/C16H11F4NOS/c17-10-3-1-2-9(6-10)7-21-13(22)8-23-16(21)11-4-5-12(18)15(20)14(11)19/h1-6,16H,7-8H2
InChIKeyWRCJYGPCMSHCQE-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.02
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 3858526) has the molecular formula C16H11F4NOS and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
PubChem CID3858526
Molecular FormulaC16H11F4NOS
Molecular Weight341.33 g/mol
Exact Mass341.05
IUPAC Name3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2F)N1Cc1cccc(F)c1
InChIInChI=1S/C16H11F4NOS/c17-10-3-1-2-9(6-10)7-21-13(22)8-23-16(21)11-4-5-12(18)15(20)14(11)19/h1-6,16H,7-8H2
InChIKeyWRCJYGPCMSHCQE-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.02
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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Related Compounds

3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3854696
2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 4521493
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
2-(2,6-difluorophenyl)-3-(naphthalen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 87150899
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
2-(1,3-benzodioxol-4-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3763893
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-[(3,4-difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3447605
3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 74229341

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one (CID 3858526) is 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(F)c2F)N1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is WRCJYGPCMSHCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NOS/c17-10-3-1-2-9(6-10)7-21-13(22)8-23-16(21)11-4-5-12(18)15(20)14(11)19/h1-6,16H,7-8H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one?
3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 341.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3858526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).