2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid

C8H7N3O2S — CID 58226859

IUPAC2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCn1nccc1-c1ncc(C(=O)O)s1
InChIInChI=1S/C8H7N3O2S/c1-11-5(2-3-10-11)7-9-4-6(14-7)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyLYATVGFWNOPBIT-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.24
Rot. Bonds2

About 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid

2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58226859) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID58226859
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCn1nccc1-c1ncc(C(=O)O)s1
InChIInChI=1S/C8H7N3O2S/c1-11-5(2-3-10-11)7-9-4-6(14-7)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyLYATVGFWNOPBIT-UHFFFAOYSA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid
CID 141216223
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
2-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 130598614
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
CID 104789074
4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid
CID 84672117
1-[4-methyl-2-(2-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 114554206
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 82730435
5-amino-2-(2-methylpyrazol-3-yl)pyridine-3-carboxylic acid
CID 165484223

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid (CID 58226859) is 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid is Cn1nccc1-c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LYATVGFWNOPBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-11-5(2-3-10-11)7-9-4-6(14-7)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58226859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).