2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol

C8H8N2O2S — CID 82158215

IUPAC2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
SMILESSCCc1nnc(-c2ccco2)o1
InChIInChI=1S/C8H8N2O2S/c13-5-3-7-9-10-8(12-7)6-2-1-4-11-6/h1-2,4,13H,3,5H2
InChIKeyVGIIIXQBFUVRBC-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.80
Rot. Bonds3

About 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol

2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol (PubChem CID 82158215) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
PubChem CID82158215
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
SMILESSCCc1nnc(-c2ccco2)o1
InChIInChI=1S/C8H8N2O2S/c13-5-3-7-9-10-8(12-7)6-2-1-4-11-6/h1-2,4,13H,3,5H2
InChIKeyVGIIIXQBFUVRBC-UHFFFAOYSA-N
XLogP1.80
TPSA52.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol (CID 82158215) is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The canonical SMILES for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol is SCCc1nnc(-c2ccco2)o1.
What is the InChIKey of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The InChIKey is VGIIIXQBFUVRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c13-5-3-7-9-10-8(12-7)6-2-1-4-11-6/h1-2,4,13H,3,5H2.
What are the key properties of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol?
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol has a molecular weight of 196.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol is sourced from PubChem (CID 82158215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).