[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

C12H9FN4OS — CID 115285012

IUPAC[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(-c2ccc(F)cn2)no1)c1cccs1
InChIInChI=1S/C12H9FN4OS/c13-7-3-4-8(15-6-7)11-16-12(18-17-11)10(14)9-2-1-5-19-9/h1-6,10H,14H2
InChIKeyPIEUFOAHUDDFFJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.38
Rot. Bonds3

About [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (PubChem CID 115285012) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
PubChem CID115285012
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC Name[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(-c2ccc(F)cn2)no1)c1cccs1
InChIInChI=1S/C12H9FN4OS/c13-7-3-4-8(15-6-7)11-16-12(18-17-11)10(14)9-2-1-5-19-9/h1-6,10H,14H2
InChIKeyPIEUFOAHUDDFFJ-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285013
[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284912
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284891
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923
3-[5-[amino(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921115
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 79719342
(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285006
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79719108
ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79719784
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 113278812
[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285007

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (CID 115285012) is [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is NC(c1nc(-c2ccc(F)cn2)no1)c1cccs1.
What is the InChIKey of [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The InChIKey is PIEUFOAHUDDFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c13-7-3-4-8(15-6-7)11-16-12(18-17-11)10(14)9-2-1-5-19-9/h1-6,10H,14H2.
What are the key properties of [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine has a molecular weight of 276.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 115285012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).