4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol

C15H11NO3S — CID 787549

IUPAC4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1
InChIInChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
InChIKeyFSQMZTBSNBWMOW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.59
Rot. Bonds2

About 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol

4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol (PubChem CID 787549) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
PubChem CID787549
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1
InChIInChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
InChIKeyFSQMZTBSNBWMOW-UHFFFAOYSA-N
XLogP3.59
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol (CID 787549) is 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol is Oc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The InChIKey is FSQMZTBSNBWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H.
What are the key properties of 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol has a molecular weight of 285.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol is sourced from PubChem (CID 787549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).