[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid

C8H7BN2O2S — CID 164662483

IUPAC[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(-c2cncs2)nc1
InChIInChI=1S/C8H7BN2O2S/c12-9(13)6-1-2-7(11-3-6)8-4-10-5-14-8/h1-5,12-13H
InChIKeyKUBJGHIXZFMALB-UHFFFAOYSA-N
MW206.04 g/mol
LogP-0.12
Rot. Bonds2

About [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid

[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid (PubChem CID 164662483) has the molecular formula C8H7BN2O2S and a molecular weight of 206.04 g/mol. Its IUPAC name is [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid
PubChem CID164662483
Molecular FormulaC8H7BN2O2S
Molecular Weight206.04 g/mol
Exact Mass206.03
IUPAC Name[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(-c2cncs2)nc1
InChIInChI=1S/C8H7BN2O2S/c12-9(13)6-1-2-7(11-3-6)8-4-10-5-14-8/h1-5,12-13H
InChIKeyKUBJGHIXZFMALB-UHFFFAOYSA-N
XLogP-0.12
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid (CID 164662483) is [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid is OB(O)c1ccc(-c2cncs2)nc1.
What is the InChIKey of [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid?
The InChIKey is KUBJGHIXZFMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BN2O2S/c12-9(13)6-1-2-7(11-3-6)8-4-10-5-14-8/h1-5,12-13H.
What are the key properties of [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid?
[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid has a molecular weight of 206.04 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 164662483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).