3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione

C7H7ClN4O2S — CID 43407937

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C7H7ClN4O2S/c1-11-3-5(13)12(7(11)14)2-4-6(8)15-10-9-4/h2-3H2,1H3
InChIKeyZQIKKELMPIITBA-UHFFFAOYSA-N
MW246.68 g/mol
LogP0.59
Rot. Bonds2

About 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione

3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43407937) has the molecular formula C7H7ClN4O2S and a molecular weight of 246.68 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID43407937
Molecular FormulaC7H7ClN4O2S
Molecular Weight246.68 g/mol
Exact Mass246.00
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C7H7ClN4O2S/c1-11-3-5(13)12(7(11)14)2-4-6(8)15-10-9-4/h2-3H2,1H3
InChIKeyZQIKKELMPIITBA-UHFFFAOYSA-N
XLogP0.59
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione (CID 43407937) is 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2nnsc2Cl)C1=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is ZQIKKELMPIITBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2S/c1-11-3-5(13)12(7(11)14)2-4-6(8)15-10-9-4/h2-3H2,1H3.
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 246.68 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43407937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).