2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol

C13H9N3OS — CID 86277538

IUPAC2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
SMILESOc1ccccc1-c1csc(-c2ncccn2)n1
InChIInChI=1S/C13H9N3OS/c17-11-5-2-1-4-9(11)10-8-18-13(16-10)12-14-6-3-7-15-12/h1-8,17H
InChIKeyPIABKNBHTQXCHG-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.97
Rot. Bonds2

About 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol

2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol (PubChem CID 86277538) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
PubChem CID86277538
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
SMILESOc1ccccc1-c1csc(-c2ncccn2)n1
InChIInChI=1S/C13H9N3OS/c17-11-5-2-1-4-9(11)10-8-18-13(16-10)12-14-6-3-7-15-12/h1-8,17H
InChIKeyPIABKNBHTQXCHG-UHFFFAOYSA-N
XLogP2.97
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol (CID 86277538) is 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol is Oc1ccccc1-c1csc(-c2ncccn2)n1.
What is the InChIKey of 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol?
The InChIKey is PIABKNBHTQXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-11-5-2-1-4-9(11)10-8-18-13(16-10)12-14-6-3-7-15-12/h1-8,17H.
What are the key properties of 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol?
2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol has a molecular weight of 255.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 86277538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).