5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

C10H11N5O3S — CID 136545040

IUPAC5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1cnns1)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C10H11N5O3S/c16-9(7-4-11-14-19-7)15-3-1-2-6(5-15)8-12-13-10(17)18-8/h4,6H,1-3,5H2,(H,13,17)
InChIKeyQRWLGBLQRKBRLL-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.23
Rot. Bonds2

About 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 136545040) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID136545040
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1cnns1)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C10H11N5O3S/c16-9(7-4-11-14-19-7)15-3-1-2-6(5-15)8-12-13-10(17)18-8/h4,6H,1-3,5H2,(H,13,17)
InChIKeyQRWLGBLQRKBRLL-UHFFFAOYSA-N
XLogP0.23
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 126831695
5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166244495
[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 84598035
5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166268595
5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 132971968
5-[1-(4-bromo-5-methylthiophene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 136548886
5-[1-[4-(3,4-dimethylphenyl)oxane-4-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 138058226
[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 60958313
(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 114683044
5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166337386
(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124741843
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 139019899

Frequently Asked Questions

What is the IUPAC name of 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 136545040) is 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=C(c1cnns1)N1CCCC(c2n[nH]c(=O)o2)C1.
What is the InChIKey of 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QRWLGBLQRKBRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c16-9(7-4-11-14-19-7)15-3-1-2-6(5-15)8-12-13-10(17)18-8/h4,6H,1-3,5H2,(H,13,17).
What are the key properties of 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 281.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 136545040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).