2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C12H10FN3OS — CID 81104678

IUPAC2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2cc3ccc(F)cc3s2)o1
InChIInChI=1S/C12H10FN3OS/c13-8-2-1-7-5-10(18-9(7)6-8)12-16-15-11(17-12)3-4-14/h1-2,5-6H,3-4,14H2
InChIKeyMGMOHFOWUKMOAX-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.59
Rot. Bonds3

About 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 81104678) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID81104678
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2cc3ccc(F)cc3s2)o1
InChIInChI=1S/C12H10FN3OS/c13-8-2-1-7-5-10(18-9(7)6-8)12-16-15-11(17-12)3-4-14/h1-2,5-6H,3-4,14H2
InChIKeyMGMOHFOWUKMOAX-UHFFFAOYSA-N
XLogP2.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 81104678) is 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(-c2cc3ccc(F)cc3s2)o1.
What is the InChIKey of 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is MGMOHFOWUKMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-8-2-1-7-5-10(18-9(7)6-8)12-16-15-11(17-12)3-4-14/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 81104678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).