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

C12H15N3O2S — CID 114556534

IUPAC2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccnn2CC)sc1C(=O)O
InChIInChI=1S/C12H15N3O2S/c1-3-5-8-10(12(16)17)18-11(14-8)9-6-7-13-15(9)4-2/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyJYFVTPUQCWCGLZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.68
Rot. Bonds5

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

2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114556534) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114556534
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccnn2CC)sc1C(=O)O
InChIInChI=1S/C12H15N3O2S/c1-3-5-8-10(12(16)17)18-11(14-8)9-6-7-13-15(9)4-2/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyJYFVTPUQCWCGLZ-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114556534) is 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccnn2CC)sc1C(=O)O.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JYFVTPUQCWCGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-5-8-10(12(16)17)18-11(14-8)9-6-7-13-15(9)4-2/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 265.34 g/mol, XLogP of 2.68, 5 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)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114556534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).