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

C15H11FN2OS — CID 25100439

IUPAC4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-3-1-2-10(8-11)14-9-20-15(18-14)17-12-4-6-13(19)7-5-12/h1-9,19H,(H,17,18)
InChIKeyOBWZLPLEMKCNSE-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.40
Rot. Bonds3

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

4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 25100439) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID25100439
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-3-1-2-10(8-11)14-9-20-15(18-14)17-12-4-6-13(19)7-5-12/h1-9,19H,(H,17,18)
InChIKeyOBWZLPLEMKCNSE-UHFFFAOYSA-N
XLogP4.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.40
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 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 25100439) is 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cc1.
What is the InChIKey of 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is OBWZLPLEMKCNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-3-1-2-10(8-11)14-9-20-15(18-14)17-12-4-6-13(19)7-5-12/h1-9,19H,(H,17,18).
What are the key properties of 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 286.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 25100439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).