(5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

C9H10N2O3S — CID 102323012

IUPAC(5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC(O)[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C9H10N2O3S/c1-5(12)7-8(13)11(9(14)10-7)6-2-3-15-4-6/h2-5,7,12H,1H3,(H,10,14)/t5?,7-/m0/s1
InChIKeyQWCWXQDOLPVOFW-MSZQBOFLSA-N
MW226.26 g/mol
LogP0.55
Rot. Bonds2

About (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

(5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323012) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323012
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name(5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC(O)[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C9H10N2O3S/c1-5(12)7-8(13)11(9(14)10-7)6-2-3-15-4-6/h2-5,7,12H,1H3,(H,10,14)/t5?,7-/m0/s1
InChIKeyQWCWXQDOLPVOFW-MSZQBOFLSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.55
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

(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
4-hydroxy-N-thiophen-3-ylpyrrolidine-2-carboxamide
CID 66352409
3-Hydroxy-2-(thiophen-3-ylcarbamoylamino)butanoic acid
CID 66353757
(5S)-5-methyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323005
(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323006
(5S)-5-(hydroxymethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323011
(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323014
(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323015
(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 102323022
(2S,3R)-3-hydroxy-2-(thiophen-3-ylcarbamoylamino)butanoic acid
CID 104966382
N-(3-hydroxybutyl)-N'-thiophen-3-yloxamide
CID 112299796

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323012) is (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is CC(O)[C@@H]1NC(=O)N(c2ccsc2)C1=O.
What is the InChIKey of (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is QWCWXQDOLPVOFW-MSZQBOFLSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5(12)7-8(13)11(9(14)10-7)6-2-3-15-4-6/h2-5,7,12H,1H3,(H,10,14)/t5?,7-/m0/s1.
What are the key properties of (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
(5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 226.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-hydroxyethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).