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

C6H5ClN4O2S — CID 43407931

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C6H5ClN4O2S/c7-5-3(9-10-14-5)2-11-4(12)1-8-6(11)13/h1-2H2,(H,8,13)
InChIKeyDHUXZCFJODTRDZ-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.24
Rot. Bonds2

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

3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 43407931) has the molecular formula C6H5ClN4O2S and a molecular weight of 232.65 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID43407931
Molecular FormulaC6H5ClN4O2S
Molecular Weight232.65 g/mol
Exact Mass231.98
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C6H5ClN4O2S/c7-5-3(9-10-14-5)2-11-4(12)1-8-6(11)13/h1-2H2,(H,8,13)
InChIKeyDHUXZCFJODTRDZ-UHFFFAOYSA-N
XLogP0.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.24
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
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]-1-methylimidazolidine-2,4-dione
CID 43407937
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43407963
1-[(5-Chlorothiadiazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 43407993
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
3-[(5-Aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 62208667

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 43407931) is 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1nnsc1Cl.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DHUXZCFJODTRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O2S/c7-5-3(9-10-14-5)2-11-4(12)1-8-6(11)13/h1-2H2,(H,8,13).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 232.65 g/mol, XLogP of 0.24, 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]imidazolidine-2,4-dione is sourced from PubChem (CID 43407931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).