2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H13N3O3S — CID 55235319

IUPAC2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1cn[nH]c1
InChIInChI=1S/C10H13N3O3S/c1-2-8-13(7(5-17-8)10(15)16)9(14)6-3-11-12-4-6/h3-4,7-8H,2,5H2,1H3,(H,11,12)(H,15,16)
InChIKeyLZEVWMMTFMZBBW-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.79
Rot. Bonds3

About 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235319) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235319
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1cn[nH]c1
InChIInChI=1S/C10H13N3O3S/c1-2-8-13(7(5-17-8)10(15)16)9(14)6-3-11-12-4-6/h3-4,7-8H,2,5H2,1H3,(H,11,12)(H,15,16)
InChIKeyLZEVWMMTFMZBBW-UHFFFAOYSA-N
XLogP0.79
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235319) is 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1cn[nH]c1.
What is the InChIKey of 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LZEVWMMTFMZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-8-13(7(5-17-8)10(15)16)9(14)6-3-11-12-4-6/h3-4,7-8H,2,5H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).