2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

C10H11N3O2S — CID 114556484

IUPAC2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCn1nccc1-c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H11N3O2S/c1-3-13-7(4-5-11-13)9-12-8(10(14)15)6(2)16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyMBNAISJSBBFLPE-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 114556484) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID114556484
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCn1nccc1-c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H11N3O2S/c1-3-13-7(4-5-11-13)9-12-8(10(14)15)6(2)16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyMBNAISJSBBFLPE-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 114556482
2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114556534
2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103442921
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556533
4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556532
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306488
2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid
CID 146107218
2-(2-ethylpyrazol-3-yl)-6-methylpyridine-3-carboxamide
CID 122569455
2-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 136927712
2-[(E)-2-[2-(cyclobutylmethyl)pyrazol-3-yl]ethenyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 154843287

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 114556484) is 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid is CCn1nccc1-c1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is MBNAISJSBBFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-3-13-7(4-5-11-13)9-12-8(10(14)15)6(2)16-9/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114556484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).