1-(thiadiazole-5-carbonyl)piperidin-4-one

C8H9N3O2S — CID 18629416

IUPAC1-(thiadiazole-5-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C8H9N3O2S/c12-6-1-3-11(4-2-6)8(13)7-5-9-10-14-7/h5H,1-4H2
InChIKeyDSTXOWDFVFOIEH-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.34
Rot. Bonds1

About 1-(thiadiazole-5-carbonyl)piperidin-4-one

1-(thiadiazole-5-carbonyl)piperidin-4-one (PubChem CID 18629416) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(thiadiazole-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(thiadiazole-5-carbonyl)piperidin-4-one
PubChem CID18629416
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-(thiadiazole-5-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C8H9N3O2S/c12-6-1-3-11(4-2-6)8(13)7-5-9-10-14-7/h5H,1-4H2
InChIKeyDSTXOWDFVFOIEH-UHFFFAOYSA-N
XLogP0.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide
CID 71917435
Thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 126817228
Morpholin-4-yl(thiadiazol-5-yl)methanone
CID 60857896
Piperidin-1-yl(thiadiazol-5-yl)methanone
CID 60860192
(4-Methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
CID 61037279
N-piperidin-4-ylthiadiazole-5-carboxamide
CID 43522675
(4-Hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 43522685
(3-Hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 43522686
(4-Aminopiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 43556239
N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
CID 43600350
N-methyl-N-piperidin-4-ylthiadiazole-5-carboxamide
CID 43602043
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone
CID 47262504

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazole-5-carbonyl)piperidin-4-one?
The IUPAC name of 1-(thiadiazole-5-carbonyl)piperidin-4-one (CID 18629416) is 1-(thiadiazole-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(thiadiazole-5-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(thiadiazole-5-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 1-(thiadiazole-5-carbonyl)piperidin-4-one?
The InChIKey is DSTXOWDFVFOIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-6-1-3-11(4-2-6)8(13)7-5-9-10-14-7/h5H,1-4H2.
What are the key properties of 1-(thiadiazole-5-carbonyl)piperidin-4-one?
1-(thiadiazole-5-carbonyl)piperidin-4-one has a molecular weight of 211.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazole-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 18629416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).