1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C14H16N4O2S — CID 1071908

IUPAC1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccnc2)o1)N1CCCCC1
InChIInChI=1S/C14H16N4O2S/c19-12(18-7-2-1-3-8-18)10-21-14-17-16-13(20-14)11-5-4-6-15-9-11/h4-6,9H,1-3,7-8,10H2
InChIKeyQVBFCDNGEXOEMD-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.24
Rot. Bonds4

About 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 1071908) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID1071908
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccnc2)o1)N1CCCCC1
InChIInChI=1S/C14H16N4O2S/c19-12(18-7-2-1-3-8-18)10-21-14-17-16-13(20-14)11-5-4-6-15-9-11/h4-6,9H,1-3,7-8,10H2
InChIKeyQVBFCDNGEXOEMD-UHFFFAOYSA-N
XLogP2.24
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
2-[(4-Nitrophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 779799
2-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 6483846
N-ethyl-N-phenyl-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2981823
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
3-(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 655156
2-[(4-Bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 758305
2-Ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 930897
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 1071908) is 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2cccnc2)o1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is QVBFCDNGEXOEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-12(18-7-2-1-3-8-18)10-21-14-17-16-13(20-14)11-5-4-6-15-9-11/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 304.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 1071908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).