3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid

C10H10F3N3O3S — CID 43172151

IUPAC3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)7-1-2-15(14-7)3-8(17)16-5-20-4-6(16)9(18)19/h1-2,6H,3-5H2,(H,18,19)
InChIKeyNUOXOAAQNFZXDF-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.89
Rot. Bonds3

About 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172151) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172151
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC Name3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)7-1-2-15(14-7)3-8(17)16-5-20-4-6(16)9(18)19/h1-2,6H,3-5H2,(H,18,19)
InChIKeyNUOXOAAQNFZXDF-UHFFFAOYSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43172151) is 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NUOXOAAQNFZXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c11-10(12,13)7-1-2-15(14-7)3-8(17)16-5-20-4-6(16)9(18)19/h1-2,6H,3-5H2,(H,18,19).
What are the key properties of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).