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

C14H11N3OS — CID 704347

IUPAC3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
InChIKeyGIGNWEDIMLUWCT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.65
Rot. Bonds3

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

3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 704347) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID704347
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
InChIKeyGIGNWEDIMLUWCT-UHFFFAOYSA-N
XLogP3.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol (CID 704347) is 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol is Oc1cccc(Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is GIGNWEDIMLUWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17).
What are the key properties of 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 704347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).