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

C16H15FN2O3S — CID 94385905

IUPAC(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O
InChIInChI=1S/C16H15FN2O3S/c1-16(13-6-3-7-23-13)14(21)19(15(22)18-16)9-12(20)10-4-2-5-11(17)8-10/h2-8,12,20H,9H2,1H3,(H,18,22)/t12-,16+/m1/s1
InChIKeySJFBGFYRFIGDRD-WBMJQRKESA-N
MW334.37 g/mol
LogP2.39
Rot. Bonds4

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

(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 94385905) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID94385905
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O
InChIInChI=1S/C16H15FN2O3S/c1-16(13-6-3-7-23-13)14(21)19(15(22)18-16)9-12(20)10-4-2-5-11(17)8-10/h2-8,12,20H,9H2,1H3,(H,18,22)/t12-,16+/m1/s1
InChIKeySJFBGFYRFIGDRD-WBMJQRKESA-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

(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 95323284
(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385228
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288617
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
3'-[2-(3-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47053135

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 94385905) is (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is C[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O.
What is the InChIKey of (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is SJFBGFYRFIGDRD-WBMJQRKESA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-16(13-6-3-7-23-13)14(21)19(15(22)18-16)9-12(20)10-4-2-5-11(17)8-10/h2-8,12,20H,9H2,1H3,(H,18,22)/t12-,16+/m1/s1.
What are the key properties of (5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-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-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 94385905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).