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

C15H12N2OS — CID 697280

IUPAC4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
InChIKeyDERMXGZWGLKTNH-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.26
Rot. Bonds3

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

4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 697280) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
PubChem CID697280
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
InChIKeyDERMXGZWGLKTNH-UHFFFAOYSA-N
XLogP4.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.26
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-phenyl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol (CID 697280) is 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol is Oc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is DERMXGZWGLKTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17).
What are the key properties of 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 268.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 697280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).