1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione

C9H10N4O3S — CID 151419926

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(c2nc(C)ns2)C1=O
InChIInChI=1S/C9H10N4O3S/c1-3-4-12-6(14)7(15)13(9(12)16)8-10-5(2)11-17-8/h3-4H2,1-2H3
InChIKeyPAICCPQXNXHSRX-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.55
Rot. Bonds3

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione

1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione (PubChem CID 151419926) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione
PubChem CID151419926
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(c2nc(C)ns2)C1=O
InChIInChI=1S/C9H10N4O3S/c1-3-4-12-6(14)7(15)13(9(12)16)8-10-5(2)11-17-8/h3-4H2,1-2H3
InChIKeyPAICCPQXNXHSRX-UHFFFAOYSA-N
XLogP0.55
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione (CID 151419926) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(c2nc(C)ns2)C1=O.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione?
The InChIKey is PAICCPQXNXHSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-3-4-12-6(14)7(15)13(9(12)16)8-10-5(2)11-17-8/h3-4H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione?
1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione has a molecular weight of 254.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 151419926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).