2-(1,2,4-thiadiazol-5-yloxy)aniline

C8H7N3OS — CID 65274530

IUPAC2-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccccc1Oc1ncns1
InChIInChI=1S/C8H7N3OS/c9-6-3-1-2-4-7(6)12-8-10-5-11-13-8/h1-5H,9H2
InChIKeyBGHKOHJMYMTVGD-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.91
Rot. Bonds2

About 2-(1,2,4-thiadiazol-5-yloxy)aniline

2-(1,2,4-thiadiazol-5-yloxy)aniline (PubChem CID 65274530) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-yloxy)aniline.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-yloxy)aniline
PubChem CID65274530
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccccc1Oc1ncns1
InChIInChI=1S/C8H7N3OS/c9-6-3-1-2-4-7(6)12-8-10-5-11-13-8/h1-5H,9H2
InChIKeyBGHKOHJMYMTVGD-UHFFFAOYSA-N
XLogP1.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-yloxy)aniline?
The IUPAC name of 2-(1,2,4-thiadiazol-5-yloxy)aniline (CID 65274530) is 2-(1,2,4-thiadiazol-5-yloxy)aniline.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-yloxy)aniline?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-yloxy)aniline is Nc1ccccc1Oc1ncns1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-yloxy)aniline?
The InChIKey is BGHKOHJMYMTVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-6-3-1-2-4-7(6)12-8-10-5-11-13-8/h1-5H,9H2.
What are the key properties of 2-(1,2,4-thiadiazol-5-yloxy)aniline?
2-(1,2,4-thiadiazol-5-yloxy)aniline has a molecular weight of 193.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-yloxy)aniline is sourced from PubChem (CID 65274530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).