3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione

C9H9ClN4O2S — CID 63800500

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nnsc2Cl)c1=O
InChIInChI=1S/C9H9ClN4O2S/c1-2-13-4-3-7(15)14(9(13)16)5-6-8(10)17-12-11-6/h3-4H,2,5H2,1H3
InChIKeyOAEWBWUWSGHZOI-UHFFFAOYSA-N
MW272.72 g/mol
LogP0.58
Rot. Bonds3

About 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione

3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 63800500) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID63800500
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nnsc2Cl)c1=O
InChIInChI=1S/C9H9ClN4O2S/c1-2-13-4-3-7(15)14(9(13)16)5-6-8(10)17-12-11-6/h3-4H,2,5H2,1H3
InChIKeyOAEWBWUWSGHZOI-UHFFFAOYSA-N
XLogP0.58
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-Chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557984
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
1-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 43625595
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45828960
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
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione
CID 62929786
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 63262007
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-ethyl-5-nitropyrimidine-2,4-dione
CID 63798888
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-nitro-1-propylpyrimidine-2,4-dione
CID 63799941

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione (CID 63800500) is 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2nnsc2Cl)c1=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is OAEWBWUWSGHZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-2-13-4-3-7(15)14(9(13)16)5-6-8(10)17-12-11-6/h3-4H,2,5H2,1H3.
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 272.72 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 63800500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).