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

C15H11FN2OS — CID 972868

IUPAC4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKeyIHEWKLRWCVXDOL-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.40
Rot. Bonds3

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

4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 972868) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID972868
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKeyIHEWKLRWCVXDOL-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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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-phenol
CID 704553
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
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-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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 972868) is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is IHEWKLRWCVXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18).
What are the key properties of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-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-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 972868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).