(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

C16H15FN2O3S — CID 95323284

IUPAC(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccsc2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H15FN2O3S/c1-16(11-6-7-23-9-11)14(21)19(15(22)18-16)8-13(20)10-2-4-12(17)5-3-10/h2-7,9,13,20H,8H2,1H3,(H,18,22)/t13-,16-/m1/s1
InChIKeyFYVOFOJAZLNEFO-CZUORRHYSA-N
MW334.37 g/mol
LogP2.39
Rot. Bonds4

About (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 95323284) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID95323284
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccsc2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H15FN2O3S/c1-16(11-6-7-23-9-11)14(21)19(15(22)18-16)8-13(20)10-2-4-12(17)5-3-10/h2-7,9,13,20H,8H2,1H3,(H,18,22)/t13-,16-/m1/s1
InChIKeyFYVOFOJAZLNEFO-CZUORRHYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 111476750
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 51106602
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 32519562
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazolidine-2,4-dione
CID 42938170
3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 32519552
5-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)-5-methylimidazolidine-2,4-dione
CID 17478863
N-(3-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092917
(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94385905
N-benzhydryl-N-methyl-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 60617468
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 124573291

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (CID 95323284) is (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is C[C@]1(c2ccsc2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O.
What is the InChIKey of (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is FYVOFOJAZLNEFO-CZUORRHYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-16(11-6-7-23-9-11)14(21)19(15(22)18-16)8-13(20)10-2-4-12(17)5-3-10/h2-7,9,13,20H,8H2,1H3,(H,18,22)/t13-,16-/m1/s1.
What are the key properties of (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 334.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95323284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).