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

C15H10F2N2OS — CID 779213

IUPAC4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C15H10F2N2OS/c16-9-1-6-12(13(17)7-9)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)
InChIKeyLNUYTUZRQGHPMJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.54
Rot. Bonds3

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

4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 779213) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID779213
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C15H10F2N2OS/c16-9-1-6-12(13(17)7-9)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)
InChIKeyLNUYTUZRQGHPMJ-UHFFFAOYSA-N
XLogP4.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.54
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-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 779213) is 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is LNUYTUZRQGHPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-9-1-6-12(13(17)7-9)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19).
What are the key properties of 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 304.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 779213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).