1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione

C8H8ClN3O2S — CID 43625604

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C8H8ClN3O2S/c9-8-5(10-11-15-8)4-12-6(13)2-1-3-7(12)14/h1-4H2
InChIKeyBWYRVXIIEJBYLO-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.23
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione

1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione (PubChem CID 43625604) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione
PubChem CID43625604
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C8H8ClN3O2S/c9-8-5(10-11-15-8)4-12-6(13)2-1-3-7(12)14/h1-4H2
InChIKeyBWYRVXIIEJBYLO-UHFFFAOYSA-N
XLogP1.23
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 43408265
1-[(5-Chlorothiadiazol-4-yl)methyl]azepan-2-one
CID 43625580
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione
CID 43625588
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-2-one
CID 43625594
1-[(5-Chlorothiadiazol-4-yl)methyl]azepane-2,7-dione
CID 43625603
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 45797150
[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-cyclopropylmethanone
CID 45797175
2-(1-((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)piperidin-4-yl)acetamide
CID 51081958
1-[(5-Aminothiadiazol-4-yl)methyl]piperidine-2,6-dione
CID 62208353
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-methylpiperazine-2,3-dione
CID 62927392
1-[(5-Chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 62933264
3-[(5-Chlorothiadiazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835099

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione (CID 43625604) is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione is O=C1CCCC(=O)N1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is BWYRVXIIEJBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c9-8-5(10-11-15-8)4-12-6(13)2-1-3-7(12)14/h1-4H2.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 245.69 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 43625604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).