5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione

C11H12N2O3S — CID 112601168

IUPAC5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C11H12N2O3S/c1-6(2)8-9(14)12-11(16)13(10(8)15)7-3-4-17-5-7/h3-6,8H,1-2H3,(H,12,14,16)
InChIKeyTUARDQBYTXSHGR-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.60
Rot. Bonds2

About 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione

5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112601168) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
PubChem CID112601168
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C11H12N2O3S/c1-6(2)8-9(14)12-11(16)13(10(8)15)7-3-4-17-5-7/h3-6,8H,1-2H3,(H,12,14,16)
InChIKeyTUARDQBYTXSHGR-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.60
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-(4-methylphenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 115948626
1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115946079
(5R)-5-methyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 130816453
1-(4-fluoro-3-methoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 114841220
5-(3-bromophenyl)-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 115948620
3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66354371
1-(5-bromo-2-chlorophenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115947982
(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7038000
5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
CID 115947516
1-(2-bromo-4,6-difluorophenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115946681
2-[(4S)-2,5-dioxo-1-thiophen-3-ylimidazolidin-4-yl]acetic acid
CID 102323019
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66356270

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione (CID 112601168) is 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(c2ccsc2)C1=O.
What is the InChIKey of 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is TUARDQBYTXSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6(2)8-9(14)12-11(16)13(10(8)15)7-3-4-17-5-7/h3-6,8H,1-2H3,(H,12,14,16).
What are the key properties of 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione?
5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 252.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112601168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).