5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione

C9H12N4O5S2 — CID 70605533

IUPAC5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
SMILESCCCS(=O)(=O)c1nnc(N2C(=O)C(O)N(C)C2=O)s1
InChIInChI=1S/C9H12N4O5S2/c1-3-4-20(17,18)8-11-10-7(19-8)13-6(15)5(14)12(2)9(13)16/h5,14H,3-4H2,1-2H3
InChIKeyJJKZBVDFDQISQJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.56
Rot. Bonds4

About 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione

5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione (PubChem CID 70605533) has the molecular formula C9H12N4O5S2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
PubChem CID70605533
Molecular FormulaC9H12N4O5S2
Molecular Weight320.35 g/mol
Exact Mass320.02
IUPAC Name5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
SMILESCCCS(=O)(=O)c1nnc(N2C(=O)C(O)N(C)C2=O)s1
InChIInChI=1S/C9H12N4O5S2/c1-3-4-20(17,18)8-11-10-7(19-8)13-6(15)5(14)12(2)9(13)16/h5,14H,3-4H2,1-2H3
InChIKeyJJKZBVDFDQISQJ-UHFFFAOYSA-N
XLogP-0.56
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione (CID 70605533) is 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione is CCCS(=O)(=O)c1nnc(N2C(=O)C(O)N(C)C2=O)s1.
What is the InChIKey of 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is JJKZBVDFDQISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5S2/c1-3-4-20(17,18)8-11-10-7(19-8)13-6(15)5(14)12(2)9(13)16/h5,14H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 70605533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).