(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid

C7H7BN2O2S — CID 166146576

IUPAC(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid
SMILESCc1nc2ccc(B(O)O)nc2s1
InChIInChI=1S/C7H7BN2O2S/c1-4-9-5-2-3-6(8(11)12)10-7(5)13-4/h2-3,11-12H,1H3
InChIKeyVDOOSJXLUAERRM-UHFFFAOYSA-N
MW194.02 g/mol
LogP-0.32
Rot. Bonds1

About (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid

(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid (PubChem CID 166146576) has the molecular formula C7H7BN2O2S and a molecular weight of 194.02 g/mol. Its IUPAC name is (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid.

Molecular Properties

Compound Name(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid
PubChem CID166146576
Molecular FormulaC7H7BN2O2S
Molecular Weight194.02 g/mol
Exact Mass194.03
IUPAC Name(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid
SMILESCc1nc2ccc(B(O)O)nc2s1
InChIInChI=1S/C7H7BN2O2S/c1-4-9-5-2-3-6(8(11)12)10-7(5)13-4/h2-3,11-12H,1H3
InChIKeyVDOOSJXLUAERRM-UHFFFAOYSA-N
XLogP-0.32
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 5-0.32
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 (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid?
The IUPAC name of (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid (CID 166146576) is (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid.
What is the SMILES notation for (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid?
The canonical SMILES for (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid is Cc1nc2ccc(B(O)O)nc2s1.
What is the InChIKey of (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid?
The InChIKey is VDOOSJXLUAERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O2S/c1-4-9-5-2-3-6(8(11)12)10-7(5)13-4/h2-3,11-12H,1H3.
What are the key properties of (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid?
(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid has a molecular weight of 194.02 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)boronic acid is sourced from PubChem (CID 166146576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).