2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid

C11H7N3O2S — CID 107470253

IUPAC2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccn[nH]3)sc2c1
InChIInChI=1S/C11H7N3O2S/c15-11(16)6-1-2-7-9(5-6)17-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)(H,15,16)
InChIKeyKGPIJLVLXWUPKK-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.38
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid

2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 107470253) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
PubChem CID107470253
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccn[nH]3)sc2c1
InChIInChI=1S/C11H7N3O2S/c15-11(16)6-1-2-7-9(5-6)17-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)(H,15,16)
InChIKeyKGPIJLVLXWUPKK-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348770
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470389
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-(3,4,5-trifluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470249
2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470209
2-chloro-1,3-benzothiazole-6-carboxylic acid;hydrochloride
CID 70181795
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
2-acetyl-1,3-benzothiazole-6-carboxylic acid
CID 83383444
2-(5-bromothiophen-3-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107970768
2-(methylideneamino)-1,3-benzothiazole-6-carboxylic acid
CID 145348385

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid (CID 107470253) is 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccn[nH]3)sc2c1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is KGPIJLVLXWUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)6-1-2-7-9(5-6)17-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)(H,15,16).
What are the key properties of 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid?
2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 107470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).