1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H13F3N2O2S — CID 63709092

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCc1csc(N2CCC(C(=O)O)(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13F3N2O2S/c1-2-7-5-19-9(15-7)16-4-3-10(6-16,8(17)18)11(12,13)14/h5H,2-4,6H2,1H3,(H,17,18)
InChIKeyUIISNTXJDHDCGV-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.55
Rot. Bonds3

About 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709092) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709092
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCc1csc(N2CCC(C(=O)O)(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13F3N2O2S/c1-2-7-5-19-9(15-7)16-4-3-10(6-16,8(17)18)11(12,13)14/h5H,2-4,6H2,1H3,(H,17,18)
InChIKeyUIISNTXJDHDCGV-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709092) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCc1csc(N2CCC(C(=O)O)(C(F)(F)F)C2)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UIISNTXJDHDCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-2-7-5-19-9(15-7)16-4-3-10(6-16,8(17)18)11(12,13)14/h5H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 294.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).