5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione

C15H12N2O3S — CID 115948626

IUPAC5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(C2C(=O)NC(=O)N(c3ccsc3)C2=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-9-2-4-10(5-3-9)12-13(18)16-15(20)17(14(12)19)11-6-7-21-8-11/h2-8,12H,1H3,(H,16,18,20)
InChIKeyAXDQXFOZASSZMC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.42
Rot. Bonds2

About 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione

5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione (PubChem CID 115948626) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
PubChem CID115948626
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(C2C(=O)NC(=O)N(c3ccsc3)C2=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-9-2-4-10(5-3-9)12-13(18)16-15(20)17(14(12)19)11-6-7-21-8-11/h2-8,12H,1H3,(H,16,18,20)
InChIKeyAXDQXFOZASSZMC-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 115948620
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 112601168
(5R)-5-methyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 130816453
5-(4-methylphenyl)-1-(3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948308
6-(4-methylphenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136773890
3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
CID 604685
2-[(4S)-2,5-dioxo-1-thiophen-3-ylimidazolidin-4-yl]acetic acid
CID 102323019
1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 141055263
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
dimethyl-[2-[[(5S)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
CID 7368251
3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66354371

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione (CID 115948626) is 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione is Cc1ccc(C2C(=O)NC(=O)N(c3ccsc3)C2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is AXDQXFOZASSZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9-2-4-10(5-3-9)12-13(18)16-15(20)17(14(12)19)11-6-7-21-8-11/h2-8,12H,1H3,(H,16,18,20).
What are the key properties of 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 300.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).