2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid

C7H5N3O2S — CID 82670099

IUPAC2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C7H5N3O2S/c11-7(12)5-3-13-6(9-5)4-1-2-8-10-4/h1-3H,(H,8,10)(H,11,12)
InChIKeyGAGNXEXWLUOJCQ-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.23
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid

2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82670099) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID82670099
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C7H5N3O2S/c11-7(12)5-3-13-6(9-5)4-1-2-8-10-4/h1-3H,(H,8,10)(H,11,12)
InChIKeyGAGNXEXWLUOJCQ-UHFFFAOYSA-N
XLogP1.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 82676392
6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid
CID 82404241
2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 130581375
2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 69030660
2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83308160
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79979819
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid (CID 82670099) is 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GAGNXEXWLUOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-7(12)5-3-13-6(9-5)4-1-2-8-10-4/h1-3H,(H,8,10)(H,11,12).
What are the key properties of 2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.23, 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-thiazole-4-carboxylic acid is sourced from PubChem (CID 82670099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).