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

C15H10FNO2S — CID 170172462

IUPAC4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1O
InChIInChI=1S/C15H10FNO2S/c16-11-4-1-9(2-5-11)12-8-20-15(17-12)10-3-6-13(18)14(19)7-10/h1-8,18-19H
InChIKeyURLXZIJZPYNVKO-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.03
Rot. Bonds2

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

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol (PubChem CID 170172462) has the molecular formula C15H10FNO2S and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
PubChem CID170172462
Molecular FormulaC15H10FNO2S
Molecular Weight287.31 g/mol
Exact Mass287.04
IUPAC Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1O
InChIInChI=1S/C15H10FNO2S/c16-11-4-1-9(2-5-11)12-8-20-15(17-12)10-3-6-13(18)14(19)7-10/h1-8,18-19H
InChIKeyURLXZIJZPYNVKO-UHFFFAOYSA-N
XLogP4.03
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol (CID 170172462) is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol is Oc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1O.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The InChIKey is URLXZIJZPYNVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-11-4-1-9(2-5-11)12-8-20-15(17-12)10-3-6-13(18)14(19)7-10/h1-8,18-19H.
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol has a molecular weight of 287.31 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 170172462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).