(5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione

C16H13N3O2S — CID 71200804

IUPAC(5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1cccs1
InChIInChI=1S/C16H13N3O2S/c20-15-13(18-16(21)19(15)14-6-3-7-22-14)8-10-9-17-12-5-2-1-4-11(10)12/h1-7,9,13,17H,8H2,(H,18,21)/t13-/m0/s1
InChIKeyQNEQZSJNRJVZJK-ZDUSSCGKSA-N
MW311.37 g/mol
LogP2.90
Rot. Bonds3

About (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione

(5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 71200804) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID71200804
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1cccs1
InChIInChI=1S/C16H13N3O2S/c20-15-13(18-16(21)19(15)14-6-3-7-22-14)8-10-9-17-12-5-2-1-4-11(10)12/h1-7,9,13,17H,8H2,(H,18,21)/t13-/m0/s1
InChIKeyQNEQZSJNRJVZJK-ZDUSSCGKSA-N
XLogP2.90
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione (CID 71200804) is (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione is O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1cccs1.
What is the InChIKey of (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is QNEQZSJNRJVZJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15-13(18-16(21)19(15)14-6-3-7-22-14)8-10-9-17-12-5-2-1-4-11(10)12/h1-7,9,13,17H,8H2,(H,18,21)/t13-/m0/s1.
What are the key properties of (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 311.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1H-indol-3-ylmethyl)-3-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 71200804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).