4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol

C15H11NO2S — CID 169215045

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2nc(-c3ccccc3)cs2)cc1O
InChIInChI=1S/C15H11NO2S/c17-13-7-6-11(8-14(13)18)15-16-12(9-19-15)10-4-2-1-3-5-10/h1-9,17-18H
InChIKeyOQIOXGQUTGUZRI-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.89
Rot. Bonds2

About 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol

4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol (PubChem CID 169215045) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
PubChem CID169215045
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2nc(-c3ccccc3)cs2)cc1O
InChIInChI=1S/C15H11NO2S/c17-13-7-6-11(8-14(13)18)15-16-12(9-19-15)10-4-2-1-3-5-10/h1-9,17-18H
InChIKeyOQIOXGQUTGUZRI-UHFFFAOYSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
CID 155566832
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 25468910
4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 18707352
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889178
2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
CID 89470594
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol (CID 169215045) is 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol is Oc1ccc(-c2nc(-c3ccccc3)cs2)cc1O.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol?
The InChIKey is OQIOXGQUTGUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-13-7-6-11(8-14(13)18)15-16-12(9-19-15)10-4-2-1-3-5-10/h1-9,17-18H.
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol?
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol has a molecular weight of 269.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 169215045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).