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

C8H7ClN4O2S — CID 62929786

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2nnsc2Cl)c(=O)c1=O
InChIInChI=1S/C8H7ClN4O2S/c1-12-2-3-13(8(15)7(12)14)4-5-6(9)16-11-10-5/h2-3H,4H2,1H3
InChIKeyYUSLUNXTVCQWJR-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.10
Rot. Bonds2

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

1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione (PubChem CID 62929786) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione
PubChem CID62929786
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2nnsc2Cl)c(=O)c1=O
InChIInChI=1S/C8H7ClN4O2S/c1-12-2-3-13(8(15)7(12)14)4-5-6(9)16-11-10-5/h2-3H,4H2,1H3
InChIKeyYUSLUNXTVCQWJR-UHFFFAOYSA-N
XLogP0.10
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)(methyl)amino)-N-propylacetamide
CID 24490933
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 24492306
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 43407879
1-[(5-Chlorothiadiazol-4-yl)methyl]pyridin-2-one
CID 43407902
1-[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 43408265
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione
CID 43625588
1-[4-[(5-Chlorothiadiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45800025
2-[Butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide
CID 47204514
2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 51226312
2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978959
2-[(5-Chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 60676735
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]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione (CID 62929786) is 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione is Cn1ccn(Cc2nnsc2Cl)c(=O)c1=O.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione?
The InChIKey is YUSLUNXTVCQWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c1-12-2-3-13(8(15)7(12)14)4-5-6(9)16-11-10-5/h2-3H,4H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione has a molecular weight of 258.69 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62929786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).