3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride

C11H16ClN3OS — CID 115615759

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
SMILESCc1noc(CCCNCc2ccsc2)n1.Cl
InChIInChI=1S/C11H15N3OS.ClH/c1-9-13-11(15-14-9)3-2-5-12-7-10-4-6-16-8-10;/h4,6,8,12H,2-3,5,7H2,1H3;1H
InChIKeyXFPUGXZPWAXMNR-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.58
Rot. Bonds6

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 115615759) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
PubChem CID115615759
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
SMILESCc1noc(CCCNCc2ccsc2)n1.Cl
InChIInChI=1S/C11H15N3OS.ClH/c1-9-13-11(15-14-9)3-2-5-12-7-10-4-6-16-8-10;/h4,6,8,12H,2-3,5,7H2,1H3;1H
InChIKeyXFPUGXZPWAXMNR-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686192
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
CID 115887438
N-[(4-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648024
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
CID 115598596
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103991484
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
N-[(3,5-difluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103851591
N-[(4-bromo-3-methylphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103717247
4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzoic acid
CID 114185805
2-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704707

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride (CID 115615759) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride is Cc1noc(CCCNCc2ccsc2)n1.Cl.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is XFPUGXZPWAXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS.ClH/c1-9-13-11(15-14-9)3-2-5-12-7-10-4-6-16-8-10;/h4,6,8,12H,2-3,5,7H2,1H3;1H.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 273.79 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 115615759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).