3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione

C10H14N4O5S2 — CID 21318263

IUPAC3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione
SMILESCCCCS(=O)(=O)c1nnc(N2C(=O)C(O)N(C)C2=O)s1
InChIInChI=1S/C10H14N4O5S2/c1-3-4-5-21(18,19)9-12-11-8(20-9)14-7(16)6(15)13(2)10(14)17/h6,15H,3-5H2,1-2H3
InChIKeyLYUFHTMNQBNCAF-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.17
Rot. Bonds5

About 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione

3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione (PubChem CID 21318263) has the molecular formula C10H14N4O5S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione
PubChem CID21318263
Molecular FormulaC10H14N4O5S2
Molecular Weight334.38 g/mol
Exact Mass334.04
IUPAC Name3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione
SMILESCCCCS(=O)(=O)c1nnc(N2C(=O)C(O)N(C)C2=O)s1
InChIInChI=1S/C10H14N4O5S2/c1-3-4-5-21(18,19)9-12-11-8(20-9)14-7(16)6(15)13(2)10(14)17/h6,15H,3-5H2,1-2H3
InChIKeyLYUFHTMNQBNCAF-UHFFFAOYSA-N
XLogP-0.17
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.17
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 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione (CID 21318263) is 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione is CCCCS(=O)(=O)c1nnc(N2C(=O)C(O)N(C)C2=O)s1.
What is the InChIKey of 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione?
The InChIKey is LYUFHTMNQBNCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S2/c1-3-4-5-21(18,19)9-12-11-8(20-9)14-7(16)6(15)13(2)10(14)17/h6,15H,3-5H2,1-2H3.
What are the key properties of 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione?
3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 21318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).