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

C8H9ClN4O2S — CID 43407959

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C8H9ClN4O2S/c1-8(2)6(14)13(7(15)10-8)3-4-5(9)16-12-11-4/h3H2,1-2H3,(H,10,15)
InChIKeyYOMPPGQPRLFUNS-UHFFFAOYSA-N
MW260.71 g/mol
LogP1.02
Rot. Bonds2

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

3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43407959) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43407959
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C8H9ClN4O2S/c1-8(2)6(14)13(7(15)10-8)3-4-5(9)16-12-11-4/h3H2,1-2H3,(H,10,15)
InChIKeyYOMPPGQPRLFUNS-UHFFFAOYSA-N
XLogP1.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 51.02
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-Chlorothiadiazol-4-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265067
3-[(5-Aminothiadiazol-4-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265690
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17483138
2-(((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)(methyl)amino)-N-propylacetamide
CID 24490933
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
N-tert-butyl-2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]acetamide
CID 32104543
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]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43407963
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43407969

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43407959) is 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2nnsc2Cl)C1=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YOMPPGQPRLFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S/c1-8(2)6(14)13(7(15)10-8)3-4-5(9)16-12-11-4/h3H2,1-2H3,(H,10,15).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 260.71 g/mol, XLogP of 1.02, 2 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]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43407959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).