[5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C5H8FN3OS — CID 102630365

IUPAC[5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCF)o1
InChIInChI=1S/C5H8FN3OS/c6-1-2-11-5-9-8-4(3-7)10-5/h1-3,7H2
InChIKeyBXRLUFNGCQKFTG-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.59
Rot. Bonds4

About [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630365) has the molecular formula C5H8FN3OS and a molecular weight of 177.20 g/mol. Its IUPAC name is [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630365
Molecular FormulaC5H8FN3OS
Molecular Weight177.20 g/mol
Exact Mass177.04
IUPAC Name[5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCF)o1
InChIInChI=1S/C5H8FN3OS/c6-1-2-11-5-9-8-4(3-7)10-5/h1-3,7H2
InChIKeyBXRLUFNGCQKFTG-UHFFFAOYSA-N
XLogP0.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630365) is [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCCF)o1.
What is the InChIKey of [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is BXRLUFNGCQKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3OS/c6-1-2-11-5-9-8-4(3-7)10-5/h1-3,7H2.
What are the key properties of [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 177.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).