[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid

C8H10BNO3S — CID 169183764

IUPAC[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid
SMILESOB(O)c1cnc(C2=CCOCC2)s1
InChIInChI=1S/C8H10BNO3S/c11-9(12)7-5-10-8(14-7)6-1-3-13-4-2-6/h1,5,11-12H,2-4H2
InChIKeyGQIWQVGPHGDCTJ-UHFFFAOYSA-N
MW211.05 g/mol
LogP-0.37
Rot. Bonds2

About [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid

[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid (PubChem CID 169183764) has the molecular formula C8H10BNO3S and a molecular weight of 211.05 g/mol. Its IUPAC name is [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid.

Molecular Properties

Compound Name[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid
PubChem CID169183764
Molecular FormulaC8H10BNO3S
Molecular Weight211.05 g/mol
Exact Mass211.05
IUPAC Name[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid
SMILESOB(O)c1cnc(C2=CCOCC2)s1
InChIInChI=1S/C8H10BNO3S/c11-9(12)7-5-10-8(14-7)6-1-3-13-4-2-6/h1,5,11-12H,2-4H2
InChIKeyGQIWQVGPHGDCTJ-UHFFFAOYSA-N
XLogP-0.37
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
CID 177229893
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149
3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine
CID 58548658
2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 139472815
4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
CID 121273540
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
CID 162435420
methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate
CID 177196857
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450
5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole
CID 162432910
8-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-ylimidazo[1,5-a]pyridine
CID 134807029
[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone
CID 167974245
3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol
CID 166983245

Frequently Asked Questions

What is the IUPAC name of [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid?
The IUPAC name of [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid (CID 169183764) is [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid.
What is the SMILES notation for [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid?
The canonical SMILES for [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid is OB(O)c1cnc(C2=CCOCC2)s1.
What is the InChIKey of [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid?
The InChIKey is GQIWQVGPHGDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO3S/c11-9(12)7-5-10-8(14-7)6-1-3-13-4-2-6/h1,5,11-12H,2-4H2.
What are the key properties of [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid?
[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid has a molecular weight of 211.05 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid is sourced from PubChem (CID 169183764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).