3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol

C15H12N2O2S — CID 46865782

IUPAC3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(Nc2nc(-c3cccc(O)c3)cs2)cc1
InChIInChI=1S/C15H12N2O2S/c18-12-6-4-11(5-7-12)16-15-17-14(9-20-15)10-2-1-3-13(19)8-10/h1-9,18-19H,(H,16,17)
InChIKeyTZAQHYDQIUBTMD-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

About 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol

3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol (PubChem CID 46865782) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol
PubChem CID46865782
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(Nc2nc(-c3cccc(O)c3)cs2)cc1
InChIInChI=1S/C15H12N2O2S/c18-12-6-4-11(5-7-12)16-15-17-14(9-20-15)10-2-1-3-13(19)8-10/h1-9,18-19H,(H,16,17)
InChIKeyTZAQHYDQIUBTMD-UHFFFAOYSA-N
XLogP3.96
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol (CID 46865782) is 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol is Oc1ccc(Nc2nc(-c3cccc(O)c3)cs2)cc1.
What is the InChIKey of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
The InChIKey is TZAQHYDQIUBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-12-6-4-11(5-7-12)16-15-17-14(9-20-15)10-2-1-3-13(19)8-10/h1-9,18-19H,(H,16,17).
What are the key properties of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol has a molecular weight of 284.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 46865782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).