1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione

C7H6ClN5O2S — CID 66425183

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione
SMILESNc1snnc1Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H6ClN5O2S/c8-3-1-13(7(15)10-6(3)14)2-4-5(9)16-12-11-4/h1H,2,9H2,(H,10,14,15)
InChIKeyXPODSHVSJZNTQP-UHFFFAOYSA-N
MW259.68 g/mol
LogP-0.33
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione

1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione (PubChem CID 66425183) has the molecular formula C7H6ClN5O2S and a molecular weight of 259.68 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione
PubChem CID66425183
Molecular FormulaC7H6ClN5O2S
Molecular Weight259.68 g/mol
Exact Mass258.99
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione
SMILESNc1snnc1Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H6ClN5O2S/c8-3-1-13(7(15)10-6(3)14)2-4-5(9)16-12-11-4/h1H,2,9H2,(H,10,14,15)
InChIKeyXPODSHVSJZNTQP-UHFFFAOYSA-N
XLogP-0.33
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-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-Aminothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63556803
5-Fluoro-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557395
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557984
5-Fluoro-1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63559012
1-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 43625595
1-[(5-Aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 62209387
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 62246914
1-[(5-Aminothiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 63799263
3-[(5-Aminothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63810401
3-[(5-Aminothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63810563
3-[(5-Aminothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63811837
5-Bromo-1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 65555314

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione (CID 66425183) is 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione is Nc1snnc1Cn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione?
The InChIKey is XPODSHVSJZNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5O2S/c8-3-1-13(7(15)10-6(3)14)2-4-5(9)16-12-11-4/h1H,2,9H2,(H,10,14,15).
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione?
1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione has a molecular weight of 259.68 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]-5-chloropyrimidine-2,4-dione is sourced from PubChem (CID 66425183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).