4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol

C17H15FN2OS — CID 25100735

IUPAC4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol
SMILESCc1cc(Nc2nc(-c3ccc(F)cc3)cs2)c(C)cc1O
InChIInChI=1S/C17H15FN2OS/c1-10-8-16(21)11(2)7-14(10)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20)
InChIKeyXHCMJHJNUHSOFL-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.02
Rot. Bonds3

About 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol

4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol (PubChem CID 25100735) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol
PubChem CID25100735
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol
SMILESCc1cc(Nc2nc(-c3ccc(F)cc3)cs2)c(C)cc1O
InChIInChI=1S/C17H15FN2OS/c1-10-8-16(21)11(2)7-14(10)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20)
InChIKeyXHCMJHJNUHSOFL-UHFFFAOYSA-N
XLogP5.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-(Methyl(4-phenylthiazol-2-yl)amino)phenol
CID 649391
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877529
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-{[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 16645659
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
N-aryl-4-aryl-1,3-thiazole-2-amine, 14
CID 25100732
N-aryl-4-aryl-1,3-thiazole-2-amine, 15
CID 25100733
3-[[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 694593

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol (CID 25100735) is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol is Cc1cc(Nc2nc(-c3ccc(F)cc3)cs2)c(C)cc1O.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol?
The InChIKey is XHCMJHJNUHSOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-10-8-16(21)11(2)7-14(10)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol?
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,5-dimethylphenol has a molecular weight of 314.38 g/mol, XLogP of 5.02, 3 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]amino]-2,5-dimethylphenol is sourced from PubChem (CID 25100735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).