(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione

C23H24FN3O3S — CID 41170266

IUPAC(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O
InChIInChI=1S/C23H24FN3O3S/c1-2-12-23(16-8-4-3-5-9-16)21(29)27(22(30)25-23)15-19(28)26-13-14-31-20(26)17-10-6-7-11-18(17)24/h3-11,20H,2,12-15H2,1H3,(H,25,30)/t20-,23+/m0/s1
InChIKeyYGUUTTDEXUENTQ-NZQKXSOJSA-N
MW441.53 g/mol
LogP3.65
Rot. Bonds6

About (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione

(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 41170266) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID41170266
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O
InChIInChI=1S/C23H24FN3O3S/c1-2-12-23(16-8-4-3-5-9-16)21(29)27(22(30)25-23)15-19(28)26-13-14-31-20(26)17-10-6-7-11-18(17)24/h3-11,20H,2,12-15H2,1H3,(H,25,30)/t20-,23+/m0/s1
InChIKeyYGUUTTDEXUENTQ-NZQKXSOJSA-N
XLogP3.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767243
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767239
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 41144002
N-cyclopropyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8572165
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8572195
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
CID 24566030
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248015
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572254
(5S)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572251
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione (CID 41170266) is (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O.
What is the InChIKey of (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is YGUUTTDEXUENTQ-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-2-12-23(16-8-4-3-5-9-16)21(29)27(22(30)25-23)15-19(28)26-13-14-31-20(26)17-10-6-7-11-18(17)24/h3-11,20H,2,12-15H2,1H3,(H,25,30)/t20-,23+/m0/s1.
What are the key properties of (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 441.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 41170266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).