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

C9H11ClN4O2S — CID 43407995

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C9H11ClN4O2S/c1-2-3-5-8(15)14(9(16)11-5)4-6-7(10)17-13-12-6/h5H,2-4H2,1H3,(H,11,16)
InChIKeyPWVMRXMVSXEZQN-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.41
Rot. Bonds4

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

3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 43407995) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID43407995
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C9H11ClN4O2S/c1-2-3-5-8(15)14(9(16)11-5)4-6-7(10)17-13-12-6/h5H,2-4H2,1H3,(H,11,16)
InChIKeyPWVMRXMVSXEZQN-UHFFFAOYSA-N
XLogP1.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.41
H-Bond Donors ≤ 51
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]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione (CID 43407995) is 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2nnsc2Cl)C1=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is PWVMRXMVSXEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-2-3-5-8(15)14(9(16)11-5)4-6-7(10)17-13-12-6/h5H,2-4H2,1H3,(H,11,16).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 274.73 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 43407995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).