5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione

C21H24N4O3S2 — CID 45354624

IUPAC5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione
SMILESCC1(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H24N4O3S2/c1-21(19(27)22-20(28)23-21)14-30-17-7-3-2-6-16(17)18(26)25-10-8-24(9-11-25)13-15-5-4-12-29-15/h2-7,12H,8-11,13-14H2,1H3,(H2,22,23,27,28)
InChIKeyQLENVDMFFLURIE-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.40
Rot. Bonds6

About 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione

5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione (PubChem CID 45354624) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione
PubChem CID45354624
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione
SMILESCC1(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H24N4O3S2/c1-21(19(27)22-20(28)23-21)14-30-17-7-3-2-6-16(17)18(26)25-10-8-24(9-11-25)13-15-5-4-12-29-15/h2-7,12H,8-11,13-14H2,1H3,(H2,22,23,27,28)
InChIKeyQLENVDMFFLURIE-UHFFFAOYSA-N
XLogP2.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylmethyl]-5-methylimidazolidine-2,4-dione
CID 40927570
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 56571935
(4-fluorophenyl)-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methanone
CID 38388557
(3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 9120102
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480
1,4-diazepan-1-yl-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 119416113
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 17477211
(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 30832846
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone;hydrochloride
CID 120810274
1-[4-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 17466011

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione (CID 45354624) is 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione is CC1(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione?
The InChIKey is QLENVDMFFLURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-21(19(27)22-20(28)23-21)14-30-17-7-3-2-6-16(17)18(26)25-10-8-24(9-11-25)13-15-5-4-12-29-15/h2-7,12H,8-11,13-14H2,1H3,(H2,22,23,27,28).
What are the key properties of 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione?
5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione has a molecular weight of 444.58 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45354624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).