(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid

C9H10NO4PS — CID 175512314

IUPAC(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
SMILESCOc1ccc2nc(OP(C)(=O)O)sc2c1
InChIInChI=1S/C9H10NO4PS/c1-13-6-3-4-7-8(5-6)16-9(10-7)14-15(2,11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyGLBOPHYBKYVBPX-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.50
Rot. Bonds3

About (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid

(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid (PubChem CID 175512314) has the molecular formula C9H10NO4PS and a molecular weight of 259.22 g/mol. Its IUPAC name is (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid.

Molecular Properties

Compound Name(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
PubChem CID175512314
Molecular FormulaC9H10NO4PS
Molecular Weight259.22 g/mol
Exact Mass259.01
IUPAC Name(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
SMILESCOc1ccc2nc(OP(C)(=O)O)sc2c1
InChIInChI=1S/C9H10NO4PS/c1-13-6-3-4-7-8(5-6)16-9(10-7)14-15(2,11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyGLBOPHYBKYVBPX-UHFFFAOYSA-N
XLogP2.50
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid 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

6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole
CID 67575086
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
CID 158604119
CID 158604119
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
CID 55176124
N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide
CID 126644718
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoic acid
CID 131887333
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid?
The IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid (CID 175512314) is (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid.
What is the SMILES notation for (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid?
The canonical SMILES for (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid is COc1ccc2nc(OP(C)(=O)O)sc2c1.
What is the InChIKey of (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid?
The InChIKey is GLBOPHYBKYVBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO4PS/c1-13-6-3-4-7-8(5-6)16-9(10-7)14-15(2,11)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid?
(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid has a molecular weight of 259.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid is sourced from PubChem (CID 175512314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).