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

C11H13N3O2S — CID 103570070

IUPAC4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2cnn(CC)c2)sc1C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-3-8-9(11(15)16)17-10(13-8)7-5-12-14(4-2)6-7/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyPSGDQKCQIWZWAD-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.29
Rot. Bonds4

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

4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 103570070) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID103570070
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2cnn(CC)c2)sc1C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-3-8-9(11(15)16)17-10(13-8)7-5-12-14(4-2)6-7/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyPSGDQKCQIWZWAD-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-(1-ethylpyrazol-4-yl)-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

Related Compounds

2-(1-ethylpyrazol-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 103570071
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840857
4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 113459536
2-(3-bromo-4-fluorophenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459194
methyl 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103570067
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987539
4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924
4-ethyl-2-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984956
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472
2-[4-(2,6-dimethylphenoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22684855
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311
4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107935411

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid (CID 103570070) is 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2cnn(CC)c2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PSGDQKCQIWZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-8-9(11(15)16)17-10(13-8)7-5-12-14(4-2)6-7/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103570070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).