[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid

C14H11BN2O2S — CID 99738175

IUPAC[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C14H11BN2O2S/c18-15(19)11-6-4-10(5-7-11)13-9-20-14(17-13)12-3-1-2-8-16-12/h1-9,18-19H
InChIKeyNATNASKGEVWEHX-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.55
Rot. Bonds3

About [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid

[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid (PubChem CID 99738175) has the molecular formula C14H11BN2O2S and a molecular weight of 282.13 g/mol. Its IUPAC name is [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid
PubChem CID99738175
Molecular FormulaC14H11BN2O2S
Molecular Weight282.13 g/mol
Exact Mass282.06
IUPAC Name[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C14H11BN2O2S/c18-15(19)11-6-4-10(5-7-11)13-9-20-14(17-13)12-3-1-2-8-16-12/h1-9,18-19H
InChIKeyNATNASKGEVWEHX-UHFFFAOYSA-N
XLogP1.55
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]boronic acid
CID 156900610
2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline
CID 39164031
2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 9356429
(4-pyridin-2-ylphenyl)boronic acid;1,2,4,5-tetrabromobenzene;2-[4-[2,4,5-tris(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
CID 160526722
N-[2-hydroxy-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 135705051
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-(2-chlorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 17475261
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid?
The IUPAC name of [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid (CID 99738175) is [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid?
The canonical SMILES for [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid is OB(O)c1ccc(-c2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid?
The InChIKey is NATNASKGEVWEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BN2O2S/c18-15(19)11-6-4-10(5-7-11)13-9-20-14(17-13)12-3-1-2-8-16-12/h1-9,18-19H.
What are the key properties of [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid?
[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid has a molecular weight of 282.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid is sourced from PubChem (CID 99738175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).