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

C8H9N3OS — CID 25219497

IUPAC[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2cccs2)no1
InChIInChI=1S/C8H9N3OS/c9-5-8-10-7(11-12-8)4-6-2-1-3-13-6/h1-3H,4-5,9H2
InChIKeyXFUKSEFNZNMJAP-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.18
Rot. Bonds3

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

[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 25219497) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID25219497
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2cccs2)no1
InChIInChI=1S/C8H9N3OS/c9-5-8-10-7(11-12-8)4-6-2-1-3-13-6/h1-3H,4-5,9H2
InChIKeyXFUKSEFNZNMJAP-UHFFFAOYSA-N
XLogP1.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 25219497) is [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(Cc2cccs2)no1.
What is the InChIKey of [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is XFUKSEFNZNMJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-5-8-10-7(11-12-8)4-6-2-1-3-13-6/h1-3H,4-5,9H2.
What are the key properties of [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 195.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 25219497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).