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

C11H13N3O3S — CID 55235907

IUPAC2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1cn[nH]c1
InChIInChI=1S/C11H13N3O3S/c15-9(7-3-12-13-4-7)14-8(11(16)17)5-18-10(14)6-1-2-6/h3-4,6,8,10H,1-2,5H2,(H,12,13)(H,16,17)
InChIKeyYXYMKMJYZVOUTJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.79
Rot. Bonds3

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

2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235907) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235907
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1cn[nH]c1
InChIInChI=1S/C11H13N3O3S/c15-9(7-3-12-13-4-7)14-8(11(16)17)5-18-10(14)6-1-2-6/h3-4,6,8,10H,1-2,5H2,(H,12,13)(H,16,17)
InChIKeyYXYMKMJYZVOUTJ-UHFFFAOYSA-N
XLogP0.79
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
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-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235907) is 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1cn[nH]c1.
What is the InChIKey of 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YXYMKMJYZVOUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-9(7-3-12-13-4-7)14-8(11(16)17)5-18-10(14)6-1-2-6/h3-4,6,8,10H,1-2,5H2,(H,12,13)(H,16,17).
What are the key properties of 2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.31 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-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).