3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione

C9H10N2O2S — CID 103621020

IUPAC3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)CNC2=O)s1
InChIInChI=1S/C9H10N2O2S/c1-6-2-3-7(14-6)5-11-8(12)4-10-9(11)13/h2-3H,4-5H2,1H3,(H,10,13)
InChIKeyMLTJBSGJRDEVQG-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.11
Rot. Bonds2

About 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione

3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 103621020) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID103621020
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)CNC2=O)s1
InChIInChI=1S/C9H10N2O2S/c1-6-2-3-7(14-6)5-11-8(12)4-10-9(11)13/h2-3H,4-5H2,1H3,(H,10,13)
InChIKeyMLTJBSGJRDEVQG-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione
CID 63788380
4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione
CID 63777407
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910104
3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470
4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione
CID 82508004
(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 71900069
4-ethynyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168501340
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66068846
3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
CID 82507746
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylpiperazine-2,6-dione
CID 66067652

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione (CID 103621020) is 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)CNC2=O)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is MLTJBSGJRDEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6-2-3-7(14-6)5-11-8(12)4-10-9(11)13/h2-3H,4-5H2,1H3,(H,10,13).
What are the key properties of 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione?
3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 210.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103621020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).