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

C9H9N3O2S — CID 3219549

IUPAC2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
SMILESOCCSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C9H9N3O2S/c13-4-5-15-9-12-11-8(14-9)7-2-1-3-10-6-7/h1-3,6,13H,4-5H2
InChIKeyQPXDQNKLPUWSFY-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.22
Rot. Bonds4

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

2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol (PubChem CID 3219549) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
PubChem CID3219549
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
SMILESOCCSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C9H9N3O2S/c13-4-5-15-9-12-11-8(14-9)7-2-1-3-10-6-7/h1-3,6,13H,4-5H2
InChIKeyQPXDQNKLPUWSFY-UHFFFAOYSA-N
XLogP1.22
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
CID 975383
1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 865345
N-(methylcarbamoyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879201
2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290445
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 653798
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 1431926
N-(cyclohexylmethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879351
N-(2-phenylethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7404095
N-(3,4-dichlorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1206474

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol (CID 3219549) is 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol is OCCSc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol?
The InChIKey is QPXDQNKLPUWSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c13-4-5-15-9-12-11-8(14-9)7-2-1-3-10-6-7/h1-3,6,13H,4-5H2.
What are the key properties of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol?
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol has a molecular weight of 223.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 3219549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).