2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H16N4O3S — CID 63780942

IUPAC2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCCn1cccn1
InChIInChI=1S/C11H16N4O3S/c1-8-15(9(7-19-8)10(16)17)11(18)12-4-6-14-5-2-3-13-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyYFCXTNNJVZHGKQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.44
Rot. Bonds4

About 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780942) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780942
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCCn1cccn1
InChIInChI=1S/C11H16N4O3S/c1-8-15(9(7-19-8)10(16)17)11(18)12-4-6-14-5-2-3-13-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyYFCXTNNJVZHGKQ-UHFFFAOYSA-N
XLogP0.44
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-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-methyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781366
3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781178
2-methyl-3-(pent-3-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 116644735
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106005669
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780942) is 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NCCn1cccn1.
What is the InChIKey of 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YFCXTNNJVZHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8-15(9(7-19-8)10(16)17)11(18)12-4-6-14-5-2-3-13-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).