5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine

C10H9N3OS — CID 79214157

IUPAC5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2CSc3ccccc32)n1
InChIInChI=1S/C10H9N3OS/c11-10-12-9(14-13-10)7-5-15-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,11,13)
InChIKeyGFMTZXJWBUJWEQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.89
Rot. Bonds1

About 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine

5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 79214157) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID79214157
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2CSc3ccccc32)n1
InChIInChI=1S/C10H9N3OS/c11-10-12-9(14-13-10)7-5-15-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,11,13)
InChIKeyGFMTZXJWBUJWEQ-UHFFFAOYSA-N
XLogP1.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine (CID 79214157) is 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine is Nc1noc(C2CSc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is GFMTZXJWBUJWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-10-12-9(14-13-10)7-5-15-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,11,13).
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine?
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 219.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 79214157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).