(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

C8H8N2O3S — CID 102323011

IUPAC(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](CO)C(=O)N1c1ccsc1
InChIInChI=1S/C8H8N2O3S/c11-3-6-7(12)10(8(13)9-6)5-1-2-14-4-5/h1-2,4,6,11H,3H2,(H,9,13)/t6-/m0/s1
InChIKeyMIIIHKAYIBOOEE-LURJTMIESA-N
MW212.23 g/mol
LogP0.17
Rot. Bonds2

About (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323011) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323011
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](CO)C(=O)N1c1ccsc1
InChIInChI=1S/C8H8N2O3S/c11-3-6-7(12)10(8(13)9-6)5-1-2-14-4-5/h1-2,4,6,11H,3H2,(H,9,13)/t6-/m0/s1
InChIKeyMIIIHKAYIBOOEE-LURJTMIESA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Thien-3-yl)imidazolidine-2,4-dione
CID 102323004
3-Thienylimidazolidinedione
CID 20299823
(5S)-5-[(1R)-1-hydroxyethyl]-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035530
5-(2-Fluoroethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 137955928
N-(ethylcarbamoyl)-2-(thiophen-3-ylamino)propanamide
CID 66352360
N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide
CID 66352367
2-Methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 66353553
2-Ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 66353555
3-Hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid
CID 66354178
(2S)-3-hydroxy-2-(thiophen-3-ylcarbamoylamino)propanoic acid
CID 66354602
3-(Thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 66355455
(4R)-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 66356298

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323011) is (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is O=C1N[C@@H](CO)C(=O)N1c1ccsc1.
What is the InChIKey of (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is MIIIHKAYIBOOEE-LURJTMIESA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-3-6-7(12)10(8(13)9-6)5-1-2-14-4-5/h1-2,4,6,11H,3H2,(H,9,13)/t6-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 212.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).