(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

C7H8ClN3OS — CID 53433568

IUPAC(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc(-c2cccs2)n1
InChIInChI=1S/C7H7N3OS.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2;1H
InChIKeyHKPQRWYPKHSLGK-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.68
Rot. Bonds2

About (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 53433568) has the molecular formula C7H8ClN3OS and a molecular weight of 217.68 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID53433568
Molecular FormulaC7H8ClN3OS
Molecular Weight217.68 g/mol
Exact Mass217.01
IUPAC Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc(-c2cccs2)n1
InChIInChI=1S/C7H7N3OS.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2;1H
InChIKeyHKPQRWYPKHSLGK-UHFFFAOYSA-N
XLogP1.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 53433568) is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cl.NCc1noc(-c2cccs2)n1.
What is the InChIKey of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is HKPQRWYPKHSLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2;1H.
What are the key properties of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 217.68 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 53433568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).