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

C7H5ClN4O3S — CID 43407993

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C7H5ClN4O3S/c1-11-5(13)6(14)12(7(11)15)2-3-4(8)16-10-9-3/h2H2,1H3
InChIKeyXQRLEYDUQBXLKK-UHFFFAOYSA-N
MW260.66 g/mol
LogP0.11
Rot. Bonds2

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

1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 43407993) has the molecular formula C7H5ClN4O3S and a molecular weight of 260.66 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID43407993
Molecular FormulaC7H5ClN4O3S
Molecular Weight260.66 g/mol
Exact Mass259.98
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2nnsc2Cl)C1=O
InChIInChI=1S/C7H5ClN4O3S/c1-11-5(13)6(14)12(7(11)15)2-3-4(8)16-10-9-3/h2H2,1H3
InChIKeyXQRLEYDUQBXLKK-UHFFFAOYSA-N
XLogP0.11
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 50.11
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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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
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
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 43407879
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]-5-propylimidazolidine-2,4-dione
CID 43407995
6-Amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 46582696
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 56810737
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-diethylacetamide
CID 60696542

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 43407993) is 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2nnsc2Cl)C1=O.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is XQRLEYDUQBXLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O3S/c1-11-5(13)6(14)12(7(11)15)2-3-4(8)16-10-9-3/h2H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 260.66 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 43407993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).