5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one

C13H11N5O2S — CID 107436533

IUPAC5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
SMILESO=C1CNC(c2nc(-c3cnc4ccsc4c3)no2)CN1
InChIInChI=1S/C13H11N5O2S/c19-11-6-15-9(5-16-11)13-17-12(18-20-13)7-3-10-8(14-4-7)1-2-21-10/h1-4,9,15H,5-6H2,(H,16,19)
InChIKeyLEIBMLXKBVQRHF-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.11
Rot. Bonds2

About 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one

5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one (PubChem CID 107436533) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
PubChem CID107436533
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
SMILESO=C1CNC(c2nc(-c3cnc4ccsc4c3)no2)CN1
InChIInChI=1S/C13H11N5O2S/c19-11-6-15-9(5-16-11)13-17-12(18-20-13)7-3-10-8(14-4-7)1-2-21-10/h1-4,9,15H,5-6H2,(H,16,19)
InChIKeyLEIBMLXKBVQRHF-UHFFFAOYSA-N
XLogP1.11
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one with MolForge

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Related Compounds

(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912463
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 114351072
2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide
CID 139002474
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435991
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572
3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474611
cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 81146654
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81148400
5-(diethoxymethyl)-3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazole
CID 81146984

Frequently Asked Questions

What is the IUPAC name of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
The IUPAC name of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one (CID 107436533) is 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one.
What is the SMILES notation for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
The canonical SMILES for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one is O=C1CNC(c2nc(-c3cnc4ccsc4c3)no2)CN1.
What is the InChIKey of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
The InChIKey is LEIBMLXKBVQRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-11-6-15-9(5-16-11)13-17-12(18-20-13)7-3-10-8(14-4-7)1-2-21-10/h1-4,9,15H,5-6H2,(H,16,19).
What are the key properties of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one has a molecular weight of 301.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one is sourced from PubChem (CID 107436533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).