4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid

C12H14N4O3S — CID 70919702

IUPAC4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1nccc1NC(=O)Cc1nc(C)sc1C(=O)O
InChIInChI=1S/C12H14N4O3S/c1-3-16-9(4-5-13-16)15-10(17)6-8-11(12(18)19)20-7(2)14-8/h4-5H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZNLMDWYQUFNYCV-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.55
Rot. Bonds5

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

4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 70919702) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID70919702
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1nccc1NC(=O)Cc1nc(C)sc1C(=O)O
InChIInChI=1S/C12H14N4O3S/c1-3-16-9(4-5-13-16)15-10(17)6-8-11(12(18)19)20-7(2)14-8/h4-5H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZNLMDWYQUFNYCV-UHFFFAOYSA-N
XLogP1.55
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid (CID 70919702) is 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid is CCn1nccc1NC(=O)Cc1nc(C)sc1C(=O)O.
What is the InChIKey of 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZNLMDWYQUFNYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-16-9(4-5-13-16)15-10(17)6-8-11(12(18)19)20-7(2)14-8/h4-5H,3,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid?
4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70919702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).