[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid

C15H13BN4O3S — CID 140841575

IUPAC[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid
SMILESCOc1cc(B(O)O)c2sc(-c3cn4nc(C)ccc4n3)nc2c1
InChIInChI=1S/C15H13BN4O3S/c1-8-3-4-13-17-12(7-20(13)19-8)15-18-11-6-9(23-2)5-10(16(21)22)14(11)24-15/h3-7,21-22H,1-2H3
InChIKeyCICBRISYZHXECP-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.00
Rot. Bonds3

About [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid

[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid (PubChem CID 140841575) has the molecular formula C15H13BN4O3S and a molecular weight of 340.17 g/mol. Its IUPAC name is [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid.

Molecular Properties

Compound Name[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid
PubChem CID140841575
Molecular FormulaC15H13BN4O3S
Molecular Weight340.17 g/mol
Exact Mass340.08
IUPAC Name[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid
SMILESCOc1cc(B(O)O)c2sc(-c3cn4nc(C)ccc4n3)nc2c1
InChIInChI=1S/C15H13BN4O3S/c1-8-3-4-13-17-12(7-20(13)19-8)15-18-11-6-9(23-2)5-10(16(21)22)14(11)24-15/h3-7,21-22H,1-2H3
InChIKeyCICBRISYZHXECP-UHFFFAOYSA-N
XLogP1.00
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol
CID 122507695
(3E,5E)-6-[4-[[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-3-methylocta-1,3,5-trien-2-ol
CID 145146206
4-[4-[[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 122526877
5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole
CID 122507675
2-fluoro-6-methylimidazo[1,2-b]pyridazine
CID 70222465
2-(3,5-difluorophenyl)-6-methylimidazo[1,2-b]pyridazine
CID 70987260
[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate
CID 175791061
ethane;[(3R)-3-(hydroxymethyl)morpholin-4-yl]-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone
CID 145146204
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
N-(2-hydroxyethyl)-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propan-2-ylbenzamide
CID 134238050
N-(1-methoxy-3-methylbutan-2-yl)-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide
CID 134238029
[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]boronic acid
CID 122368528

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid?
The IUPAC name of [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid (CID 140841575) is [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid.
What is the SMILES notation for [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid?
The canonical SMILES for [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid is COc1cc(B(O)O)c2sc(-c3cn4nc(C)ccc4n3)nc2c1.
What is the InChIKey of [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid?
The InChIKey is CICBRISYZHXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BN4O3S/c1-8-3-4-13-17-12(7-20(13)19-8)15-18-11-6-9(23-2)5-10(16(21)22)14(11)24-15/h3-7,21-22H,1-2H3.
What are the key properties of [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid?
[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid has a molecular weight of 340.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]boronic acid is sourced from PubChem (CID 140841575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).