4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline

C11H8N4OS — CID 21390695

IUPAC4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(-c2nc(-c3cscn3)no2)cc1
InChIInChI=1S/C11H8N4OS/c12-8-3-1-7(2-4-8)11-14-10(15-16-11)9-5-17-6-13-9/h1-6H,12H2
InChIKeyJRJDIHYUIZBAIR-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.44
Rot. Bonds2

About 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline

4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 21390695) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID21390695
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(-c2nc(-c3cscn3)no2)cc1
InChIInChI=1S/C11H8N4OS/c12-8-3-1-7(2-4-8)11-14-10(15-16-11)9-5-17-6-13-9/h1-6H,12H2
InChIKeyJRJDIHYUIZBAIR-UHFFFAOYSA-N
XLogP2.44
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 21390695) is 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline is Nc1ccc(-c2nc(-c3cscn3)no2)cc1.
What is the InChIKey of 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is JRJDIHYUIZBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-8-3-1-7(2-4-8)11-14-10(15-16-11)9-5-17-6-13-9/h1-6H,12H2.
What are the key properties of 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 244.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 21390695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).