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

C9H9N3O3S — CID 22300128

IUPAC4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1=NN(c2nc(C)c(C(=O)O)s2)C(=O)C1
InChIInChI=1S/C9H9N3O3S/c1-4-3-6(13)12(11-4)9-10-5(2)7(16-9)8(14)15/h3H2,1-2H3,(H,14,15)
InChIKeyXRNMHKLZZBINQV-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.26
Rot. Bonds2

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

4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 22300128) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID22300128
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1=NN(c2nc(C)c(C(=O)O)s2)C(=O)C1
InChIInChI=1S/C9H9N3O3S/c1-4-3-6(13)12(11-4)9-10-5(2)7(16-9)8(14)15/h3H2,1-2H3,(H,14,15)
InChIKeyXRNMHKLZZBINQV-UHFFFAOYSA-N
XLogP1.26
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid (CID 22300128) is 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid is CC1=NN(c2nc(C)c(C(=O)O)s2)C(=O)C1.
What is the InChIKey of 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XRNMHKLZZBINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-4-3-6(13)12(11-4)9-10-5(2)7(16-9)8(14)15/h3H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 239.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22300128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).