5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine

C6H4FN3OS — CID 130594136

IUPAC5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2sccc2F)o1
InChIInChI=1S/C6H4FN3OS/c7-3-1-2-12-4(3)5-9-10-6(8)11-5/h1-2H,(H2,8,10)
InChIKeyBZJNNPFXZBLVEJ-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.52
Rot. Bonds1

About 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine

5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 130594136) has the molecular formula C6H4FN3OS and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID130594136
Molecular FormulaC6H4FN3OS
Molecular Weight185.18 g/mol
Exact Mass185.01
IUPAC Name5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2sccc2F)o1
InChIInChI=1S/C6H4FN3OS/c7-3-1-2-12-4(3)5-9-10-6(8)11-5/h1-2H,(H2,8,10)
InChIKeyBZJNNPFXZBLVEJ-UHFFFAOYSA-N
XLogP1.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine (CID 130594136) is 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2sccc2F)o1.
What is the InChIKey of 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BZJNNPFXZBLVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3OS/c7-3-1-2-12-4(3)5-9-10-6(8)11-5/h1-2H,(H2,8,10).
What are the key properties of 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine?
5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 185.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130594136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).