4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline

C13H16N2OS — CID 66523732

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCC(C)(C)c1csc(Oc2ccc(N)cc2)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)11-8-17-12(15-11)16-10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3
InChIKeyZPWYQVWQVLMCHM-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.82
Rot. Bonds2

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline

4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 66523732) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID66523732
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCC(C)(C)c1csc(Oc2ccc(N)cc2)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)11-8-17-12(15-11)16-10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3
InChIKeyZPWYQVWQVLMCHM-UHFFFAOYSA-N
XLogP3.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline (CID 66523732) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline is CC(C)(C)c1csc(Oc2ccc(N)cc2)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is ZPWYQVWQVLMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2,3)11-8-17-12(15-11)16-10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3.
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline?
4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline has a molecular weight of 248.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 66523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).