(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione

C12H12N4O3S — CID 124573291

IUPAC(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCc1nnc(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)o1
InChIInChI=1S/C12H12N4O3S/c1-7-14-15-9(19-7)5-16-10(17)12(2,13-11(16)18)8-3-4-20-6-8/h3-4,6H,5H2,1-2H3,(H,13,18)/t12-/m1/s1
InChIKeyZLJWLAPZQSOWMT-GFCCVEGCSA-N
MW292.32 g/mol
LogP1.41
Rot. Bonds3

About (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione

(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 124573291) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID124573291
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCc1nnc(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)o1
InChIInChI=1S/C12H12N4O3S/c1-7-14-15-9(19-7)5-16-10(17)12(2,13-11(16)18)8-3-4-20-6-8/h3-4,6H,5H2,1-2H3,(H,13,18)/t12-/m1/s1
InChIKeyZLJWLAPZQSOWMT-GFCCVEGCSA-N
XLogP1.41
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 41144059
5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 78766969
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 111476750
5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617699
5-methyl-5-(4-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 17445557
(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 95323284
3-fluoro-4-[[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]methyl]benzonitrile
CID 94813765
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227978
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 47094602

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione (CID 124573291) is (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione is Cc1nnc(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)o1.
What is the InChIKey of (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is ZLJWLAPZQSOWMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-14-15-9(19-7)5-16-10(17)12(2,13-11(16)18)8-3-4-20-6-8/h3-4,6H,5H2,1-2H3,(H,13,18)/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 292.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 124573291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).