1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione

C21H19N3O2S2 — CID 69342644

IUPAC1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccc(Sc3cccs3)cc2)C(=O)C1(C)Cc1ccncc1
InChIInChI=1S/C21H19N3O2S2/c1-21(14-15-9-11-22-12-10-15)19(25)24(20(26)23(21)2)16-5-7-17(8-6-16)28-18-4-3-13-27-18/h3-13H,14H2,1-2H3
InChIKeyFTDQQXVBHMIBSV-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.69
Rot. Bonds5

About 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione

1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione (PubChem CID 69342644) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione
PubChem CID69342644
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC Name1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccc(Sc3cccs3)cc2)C(=O)C1(C)Cc1ccncc1
InChIInChI=1S/C21H19N3O2S2/c1-21(14-15-9-11-22-12-10-15)19(25)24(20(26)23(21)2)16-5-7-17(8-6-16)28-18-4-3-13-27-18/h3-13H,14H2,1-2H3
InChIKeyFTDQQXVBHMIBSV-UHFFFAOYSA-N
XLogP4.69
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione (CID 69342644) is 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione is CN1C(=O)N(c2ccc(Sc3cccs3)cc2)C(=O)C1(C)Cc1ccncc1.
What is the InChIKey of 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione?
The InChIKey is FTDQQXVBHMIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-21(14-15-9-11-22-12-10-15)19(25)24(20(26)23(21)2)16-5-7-17(8-6-16)28-18-4-3-13-27-18/h3-13H,14H2,1-2H3.
What are the key properties of 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione?
1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione has a molecular weight of 409.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-(pyridin-4-ylmethyl)-3-(4-thiophen-2-ylsulfanylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69342644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).