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

C7H5ClN4O2S — CID 43625595

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2nnsc2Cl)c(=O)[nH]1
InChIInChI=1S/C7H5ClN4O2S/c8-6-4(10-11-15-6)3-12-2-1-5(13)9-7(12)14/h1-2H,3H2,(H,9,13,14)
InChIKeyZEVMSCZOEIITPR-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.09
Rot. Bonds2

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

1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 43625595) has the molecular formula C7H5ClN4O2S and a molecular weight of 244.66 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID43625595
Molecular FormulaC7H5ClN4O2S
Molecular Weight244.66 g/mol
Exact Mass243.98
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2nnsc2Cl)c(=O)[nH]1
InChIInChI=1S/C7H5ClN4O2S/c8-6-4(10-11-15-6)3-12-2-1-5(13)9-7(12)14/h1-2H,3H2,(H,9,13,14)
InChIKeyZEVMSCZOEIITPR-UHFFFAOYSA-N
XLogP0.09
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557984
1-[(5-Aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 62209387
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 63262007
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63800337
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800500
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63800661
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 63801162
5-Bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 65555516
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329119
5-Chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 66425155
1-[(5-Aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione
CID 66425183
5-Chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 130549745

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 43625595) is 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione is O=c1ccn(Cc2nnsc2Cl)c(=O)[nH]1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZEVMSCZOEIITPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2S/c8-6-4(10-11-15-6)3-12-2-1-5(13)9-7(12)14/h1-2H,3H2,(H,9,13,14).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 244.66 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43625595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).