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

C15H12N2OS — CID 697279

IUPAC3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H12N2OS/c18-13-8-4-7-12(9-13)16-15-17-14(10-19-15)11-5-2-1-3-6-11/h1-10,18H,(H,16,17)
InChIKeyAGQNMYLPVLOPBV-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.26
Rot. Bonds3

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

3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 697279) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
PubChem CID697279
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H12N2OS/c18-13-8-4-7-12(9-13)16-15-17-14(10-19-15)11-5-2-1-3-6-11/h1-10,18H,(H,16,17)
InChIKeyAGQNMYLPVLOPBV-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol (CID 697279) is 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol is Oc1cccc(Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is AGQNMYLPVLOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-13-8-4-7-12(9-13)16-15-17-14(10-19-15)11-5-2-1-3-6-11/h1-10,18H,(H,16,17).
What are the key properties of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol?
3-[(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 3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 697279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).