3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C9H11N3OS — CID 43627783

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNCCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C9H11N3OS/c10-4-1-2-8-11-9(12-13-8)7-3-5-14-6-7/h3,5-6H,1-2,4,10H2
InChIKeyJQGYHDSBXQBTQZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.69
Rot. Bonds4

About 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 43627783) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID43627783
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNCCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C9H11N3OS/c10-4-1-2-8-11-9(12-13-8)7-3-5-14-6-7/h3,5-6H,1-2,4,10H2
InChIKeyJQGYHDSBXQBTQZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 43627783) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is NCCCc1nc(-c2ccsc2)no1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is JQGYHDSBXQBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c10-4-1-2-8-11-9(12-13-8)7-3-5-14-6-7/h3,5-6H,1-2,4,10H2.
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 209.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 43627783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).