3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C10H13F3N2O3S — CID 63710395

IUPAC3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N2O3S/c11-10(12,13)9(1-2-14-4-9)8(18)15-5-19-3-6(15)7(16)17/h6,14H,1-5H2,(H,16,17)
InChIKeyOCWNZISTGINRQL-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.51
Rot. Bonds2

About 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63710395) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63710395
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N2O3S/c11-10(12,13)9(1-2-14-4-9)8(18)15-5-19-3-6(15)7(16)17/h6,14H,1-5H2,(H,16,17)
InChIKeyOCWNZISTGINRQL-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 63710395) is 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OCWNZISTGINRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c11-10(12,13)9(1-2-14-4-9)8(18)15-5-19-3-6(15)7(16)17/h6,14H,1-5H2,(H,16,17).
What are the key properties of 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63710395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).