2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole

C10H7N3OS — CID 3420918

IUPAC2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESC#CCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C10H7N3OS/c1-2-7-15-10-13-12-9(14-10)8-5-3-4-6-11-8/h1,3-6H,7H2
InChIKeyMMEUANJHHUAJDP-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.86
Rot. Bonds3

About 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole

2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 3420918) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID3420918
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESC#CCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C10H7N3OS/c1-2-7-15-10-13-12-9(14-10)8-5-3-4-6-11-8/h1,3-6H,7H2
InChIKeyMMEUANJHHUAJDP-UHFFFAOYSA-N
XLogP1.86
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 139680379
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3982393
2-(3a,7a-dihydro-1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 71068235
2-(phenoxymethyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 5019266
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
1-morpholin-4-yl-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3955284
1-(3,5-dimethylpiperidin-1-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3917383
N-(2-benzoylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3423193
2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 43245591
N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3976039
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3915967

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole (CID 3420918) is 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole is C#CCSc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is MMEUANJHHUAJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-2-7-15-10-13-12-9(14-10)8-5-3-4-6-11-8/h1,3-6H,7H2.
What are the key properties of 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole?
2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 217.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 3420918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).