2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol

C15H9Cl2FN2OS — CID 25100734

IUPAC2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1c(Cl)cc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl
InChIInChI=1S/C15H9Cl2FN2OS/c16-11-5-10(6-12(17)14(11)21)19-15-20-13(7-22-15)8-1-3-9(18)4-2-8/h1-7,21H,(H,19,20)
InChIKeyQNBROOROBRKPQT-UHFFFAOYSA-N
MW355.22 g/mol
LogP5.71
Rot. Bonds3

About 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol

2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 25100734) has the molecular formula C15H9Cl2FN2OS and a molecular weight of 355.22 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID25100734
Molecular FormulaC15H9Cl2FN2OS
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1c(Cl)cc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl
InChIInChI=1S/C15H9Cl2FN2OS/c16-11-5-10(6-12(17)14(11)21)19-15-20-13(7-22-15)8-1-3-9(18)4-2-8/h1-7,21H,(H,19,20)
InChIKeyQNBROOROBRKPQT-UHFFFAOYSA-N
XLogP5.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 25100734) is 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1c(Cl)cc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is QNBROOROBRKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2OS/c16-11-5-10(6-12(17)14(11)21)19-15-20-13(7-22-15)8-1-3-9(18)4-2-8/h1-7,21H,(H,19,20).
What are the key properties of 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 355.22 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 25100734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).