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

C13H9NO3S — CID 25468910

IUPAC4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-c2csc(-c3ccco3)n2)cc1O
InChIInChI=1S/C13H9NO3S/c15-10-4-3-8(6-11(10)16)9-7-18-13(14-9)12-2-1-5-17-12/h1-7,15-16H
InChIKeyGIXRNGYJYTVKCU-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.48
Rot. Bonds2

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

4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol (PubChem CID 25468910) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
PubChem CID25468910
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-c2csc(-c3ccco3)n2)cc1O
InChIInChI=1S/C13H9NO3S/c15-10-4-3-8(6-11(10)16)9-7-18-13(14-9)12-2-1-5-17-12/h1-7,15-16H
InChIKeyGIXRNGYJYTVKCU-UHFFFAOYSA-N
XLogP3.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
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-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol (CID 25468910) is 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol is Oc1ccc(-c2csc(-c3ccco3)n2)cc1O.
What is the InChIKey of 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The InChIKey is GIXRNGYJYTVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-10-4-3-8(6-11(10)16)9-7-18-13(14-9)12-2-1-5-17-12/h1-7,15-16H.
What are the key properties of 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol?
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol has a molecular weight of 259.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol is sourced from PubChem (CID 25468910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).