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

C8H9N3O3S — CID 43565627

IUPAC3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C8H9N3O3S/c12-7(5-1-9-10-2-5)11-4-15-3-6(11)8(13)14/h1-2,6H,3-4H2,(H,9,10)(H,13,14)
InChIKeyYGGBNWGEZYOMCX-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.01
Rot. Bonds2

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

3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43565627) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43565627
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C8H9N3O3S/c12-7(5-1-9-10-2-5)11-4-15-3-6(11)8(13)14/h1-2,6H,3-4H2,(H,9,10)(H,13,14)
InChIKeyYGGBNWGEZYOMCX-UHFFFAOYSA-N
XLogP0.01
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43565627) is 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YGGBNWGEZYOMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-7(5-1-9-10-2-5)11-4-15-3-6(11)8(13)14/h1-2,6H,3-4H2,(H,9,10)(H,13,14).
What are the key properties of 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 227.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43565627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).