1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

C15H18N4O4S — CID 9331419

IUPAC1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CN2CCN(C(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C15H18N4O4S/c1-2-18-13(21)14(22)19(15(18)23)10-16-5-7-17(8-6-16)12(20)11-4-3-9-24-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyYAANOJRWGNQWMW-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.27
Rot. Bonds4

About 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 9331419) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID9331419
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CN2CCN(C(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C15H18N4O4S/c1-2-18-13(21)14(22)19(15(18)23)10-16-5-7-17(8-6-16)12(20)11-4-3-9-24-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyYAANOJRWGNQWMW-UHFFFAOYSA-N
XLogP0.27
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one
CID 18142015
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47446108
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 56819755
(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9330991
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione (CID 9331419) is 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CN2CCN(C(=O)c3cccs3)CC2)C1=O.
What is the InChIKey of 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is YAANOJRWGNQWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-2-18-13(21)14(22)19(15(18)23)10-16-5-7-17(8-6-16)12(20)11-4-3-9-24-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 350.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 9331419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).