5-methoxy-1,3-benzothiazole-2-carboxylic acid

C9H7NO3S — CID 45077357

IUPAC5-methoxy-1,3-benzothiazole-2-carboxylic acid
SMILESCOc1ccc2sc(C(=O)O)nc2c1
InChIInChI=1S/C9H7NO3S/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyHZCUQHHEHCKENU-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.00
Rot. Bonds2

About 5-methoxy-1,3-benzothiazole-2-carboxylic acid

5-methoxy-1,3-benzothiazole-2-carboxylic acid (PubChem CID 45077357) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-methoxy-1,3-benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,3-benzothiazole-2-carboxylic acid
PubChem CID45077357
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name5-methoxy-1,3-benzothiazole-2-carboxylic acid
SMILESCOc1ccc2sc(C(=O)O)nc2c1
InChIInChI=1S/C9H7NO3S/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyHZCUQHHEHCKENU-UHFFFAOYSA-N
XLogP2.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxy-1,3-benzothiazole-2-carbonyl)amino]propanoic acid
CID 110485627
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
5-(aminomethyl)-1,3-benzothiazole-2-carboxylic acid
CID 84780174
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol
CID 82621598
(2R)-2-[[(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfanylmethylidene]amino]propanoic acid
CID 71095541
3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxopropanenitrile
CID 177341548
5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-benzothiazole-2-carboxylic acid?
The IUPAC name of 5-methoxy-1,3-benzothiazole-2-carboxylic acid (CID 45077357) is 5-methoxy-1,3-benzothiazole-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,3-benzothiazole-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1,3-benzothiazole-2-carboxylic acid is COc1ccc2sc(C(=O)O)nc2c1.
What is the InChIKey of 5-methoxy-1,3-benzothiazole-2-carboxylic acid?
The InChIKey is HZCUQHHEHCKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-methoxy-1,3-benzothiazole-2-carboxylic acid?
5-methoxy-1,3-benzothiazole-2-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-benzothiazole-2-carboxylic acid is sourced from PubChem (CID 45077357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).