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

C9H11ClN4O2S — CID 43407963

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C9H11ClN4O2S/c1-3-9(2)7(15)14(8(16)11-9)4-5-6(10)17-13-12-5/h3-4H2,1-2H3,(H,11,16)
InChIKeyRPLZWXGNBOLLCP-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.41
Rot. Bonds3

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

3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 43407963) 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-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID43407963
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C9H11ClN4O2S/c1-3-9(2)7(15)14(8(16)11-9)4-5-6(10)17-13-12-5/h3-4H2,1-2H3,(H,11,16)
InChIKeyRPLZWXGNBOLLCP-UHFFFAOYSA-N
XLogP1.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

3-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43407959
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265067
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9362368
3-[(5-Chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17483131
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17483138
3-[(5-Chlorothiadiazol-4-yl)methyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17502697
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 24595594
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
CID 24616814
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 34659969
3-[(5-Chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 43407931
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 43407937
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43407964

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 43407963) is 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(Cc2nnsc2Cl)C1=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is RPLZWXGNBOLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-3-9(2)7(15)14(8(16)11-9)4-5-6(10)17-13-12-5/h3-4H2,1-2H3,(H,11,16).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 274.73 g/mol, XLogP of 1.41, 3 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-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43407963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).