2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole

C11H10BNO3S — CID 143895381

IUPAC2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole
SMILESCc1cnc(Oc2ccc3c(c2)B(O)OC3)s1
InChIInChI=1S/C11H10BNO3S/c1-7-5-13-11(17-7)16-9-3-2-8-6-15-12(14)10(8)4-9/h2-5,14H,6H2,1H3
InChIKeyBBFQCWVOVKRLMH-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.46
Rot. Bonds2

About 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole

2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole (PubChem CID 143895381) has the molecular formula C11H10BNO3S and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole
PubChem CID143895381
Molecular FormulaC11H10BNO3S
Molecular Weight247.08 g/mol
Exact Mass247.05
IUPAC Name2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole
SMILESCc1cnc(Oc2ccc3c(c2)B(O)OC3)s1
InChIInChI=1S/C11H10BNO3S/c1-7-5-13-11(17-7)16-9-3-2-8-6-15-12(14)10(8)4-9/h2-5,14H,6H2,1H3
InChIKeyBBFQCWVOVKRLMH-UHFFFAOYSA-N
XLogP1.46
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole 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

1-hydroxy-6-(4-methylphenoxy)-3H-2,1-benzoxaborole
CID 70914453
2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-iodopyridine
CID 143895389
[5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazin-2-yl]methanol
CID 122178901
5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carbaldehyde
CID 170992544
4-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]benzamide
CID 71568157
2-[5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 122178913
4-chloro-2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-(trifluoromethyl)pyrimidine
CID 162617849
6-cyclobutyloxy-1-hydroxy-3H-2,1-benzoxaborole
CID 142601990
ethanamine;1-hydroxy-5-phenoxy-3H-2,1-benzoxaborole;1-hydroxy-6-phenoxy-3H-2,1-benzoxaborole
CID 159129382
2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]-5-isocyano-3-methylpyridine
CID 88865506
3-methylbutyl 5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carboxylate
CID 122178921
2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
CID 117190378

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole (CID 143895381) is 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole is Cc1cnc(Oc2ccc3c(c2)B(O)OC3)s1.
What is the InChIKey of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole?
The InChIKey is BBFQCWVOVKRLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO3S/c1-7-5-13-11(17-7)16-9-3-2-8-6-15-12(14)10(8)4-9/h2-5,14H,6H2,1H3.
What are the key properties of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole?
2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole has a molecular weight of 247.08 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-5-methyl-1,3-thiazole is sourced from PubChem (CID 143895381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).