3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole

C8H9N5OS — CID 65216136

IUPAC3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESc1snnc1-c1nc(C2CCCN2)no1
InChIInChI=1S/C8H9N5OS/c1-2-5(9-3-1)7-10-8(14-12-7)6-4-15-13-11-6/h4-5,9H,1-3H2
InChIKeyAZFYDBAZHLOBEA-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.01
Rot. Bonds2

About 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole

3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 65216136) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
PubChem CID65216136
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESc1snnc1-c1nc(C2CCCN2)no1
InChIInChI=1S/C8H9N5OS/c1-2-5(9-3-1)7-10-8(14-12-7)6-4-15-13-11-6/h4-5,9H,1-3H2
InChIKeyAZFYDBAZHLOBEA-UHFFFAOYSA-N
XLogP1.01
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 63748661
5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 167810102
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 65207261
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (CID 65216136) is 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is c1snnc1-c1nc(C2CCCN2)no1.
What is the InChIKey of 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is AZFYDBAZHLOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-2-5(9-3-1)7-10-8(14-12-7)6-4-15-13-11-6/h4-5,9H,1-3H2.
What are the key properties of 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 223.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65216136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).