2-(1,3-thiazol-2-yloxy)aniline

C9H8N2OS — CID 43364000

IUPAC2-(1,3-thiazol-2-yloxy)aniline
SMILESNc1ccccc1Oc1nccs1
InChIInChI=1S/C9H8N2OS/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,10H2
InChIKeyJPDAKQMTWGAVEY-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.52
Rot. Bonds2

About 2-(1,3-thiazol-2-yloxy)aniline

2-(1,3-thiazol-2-yloxy)aniline (PubChem CID 43364000) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yloxy)aniline.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yloxy)aniline
PubChem CID43364000
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-(1,3-thiazol-2-yloxy)aniline
SMILESNc1ccccc1Oc1nccs1
InChIInChI=1S/C9H8N2OS/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,10H2
InChIKeyJPDAKQMTWGAVEY-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-yloxy)aniline?
The IUPAC name of 2-(1,3-thiazol-2-yloxy)aniline (CID 43364000) is 2-(1,3-thiazol-2-yloxy)aniline.
What is the SMILES notation for 2-(1,3-thiazol-2-yloxy)aniline?
The canonical SMILES for 2-(1,3-thiazol-2-yloxy)aniline is Nc1ccccc1Oc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yloxy)aniline?
The InChIKey is JPDAKQMTWGAVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,10H2.
What are the key properties of 2-(1,3-thiazol-2-yloxy)aniline?
2-(1,3-thiazol-2-yloxy)aniline has a molecular weight of 192.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yloxy)aniline is sourced from PubChem (CID 43364000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).