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

C15H12N2O2S — CID 972292

IUPAC4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C15H12N2O2S/c18-12-5-1-10(2-6-12)14-9-20-15(17-14)16-11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)
InChIKeyVSOXNKKUQGJVEA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

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

4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol (PubChem CID 972292) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol
PubChem CID972292
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C15H12N2O2S/c18-12-5-1-10(2-6-12)14-9-20-15(17-14)16-11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)
InChIKeyVSOXNKKUQGJVEA-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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Related Compounds

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
4-{[4-(3-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704553
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 762762
4-(Methyl(4-phenylthiazol-2-yl)amino)phenol
CID 649391
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877529
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-{[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 16645659
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol (CID 972292) is 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol is Oc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
The InChIKey is VSOXNKKUQGJVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-12-5-1-10(2-6-12)14-9-20-15(17-14)16-11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17).
What are the key properties of 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol?
4-[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 4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 972292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).