5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine

C11H7FN4OS — CID 83325562

IUPAC5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2nnc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C11H7FN4OS/c12-7-3-1-6(2-4-7)9-15-16-10(17-9)8-5-14-11(13)18-8/h1-5H,(H2,13,14)
InChIKeyPHQQWLIMHGHTSY-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.58
Rot. Bonds2

About 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine

5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 83325562) has the molecular formula C11H7FN4OS and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine
PubChem CID83325562
Molecular FormulaC11H7FN4OS
Molecular Weight262.27 g/mol
Exact Mass262.03
IUPAC Name5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2nnc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C11H7FN4OS/c12-7-3-1-6(2-4-7)9-15-16-10(17-9)8-5-14-11(13)18-8/h1-5H,(H2,13,14)
InChIKeyPHQQWLIMHGHTSY-UHFFFAOYSA-N
XLogP2.58
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine (CID 83325562) is 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine is Nc1ncc(-c2nnc(-c3ccc(F)cc3)o2)s1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is PHQQWLIMHGHTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4OS/c12-7-3-1-6(2-4-7)9-15-16-10(17-9)8-5-14-11(13)18-8/h1-5H,(H2,13,14).
What are the key properties of 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine?
5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83325562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).