3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione

C17H20N4O3S — CID 24608269

IUPAC3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O
InChIInChI=1S/C17H20N4O3S/c1-4-5-13-15(23)20(16(24)19-13)9-14(22)12-8-10(2)21(11(12)3)17-18-6-7-25-17/h6-8,13H,4-5,9H2,1-3H3,(H,19,24)
InChIKeyKEONMYIJPXCWEA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.45
Rot. Bonds6

About 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione

3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 24608269) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione
PubChem CID24608269
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O
InChIInChI=1S/C17H20N4O3S/c1-4-5-13-15(23)20(16(24)19-13)9-14(22)12-8-10(2)21(11(12)3)17-18-6-7-25-17/h6-8,13H,4-5,9H2,1-3H3,(H,19,24)
InChIKeyKEONMYIJPXCWEA-UHFFFAOYSA-N
XLogP2.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione (CID 24608269) is 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O.
What is the InChIKey of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is KEONMYIJPXCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-4-5-13-15(23)20(16(24)19-13)9-14(22)12-8-10(2)21(11(12)3)17-18-6-7-25-17/h6-8,13H,4-5,9H2,1-3H3,(H,19,24).
What are the key properties of 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione?
3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 360.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 24608269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).