1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H10F3N3O3S — CID 63709248

IUPAC1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1nccs1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)9(6(17)18)1-3-16(5-9)8(19)15-7-14-2-4-20-7/h2,4H,1,3,5H2,(H,17,18)(H,14,15,19)
InChIKeyYRFPOTRTVCWFPN-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.01
Rot. Bonds2

About 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709248) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709248
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC Name1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1nccs1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)9(6(17)18)1-3-16(5-9)8(19)15-7-14-2-4-20-7/h2,4H,1,3,5H2,(H,17,18)(H,14,15,19)
InChIKeyYRFPOTRTVCWFPN-UHFFFAOYSA-N
XLogP2.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709248) is 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(Nc1nccs1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YRFPOTRTVCWFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c11-10(12,13)9(6(17)18)1-3-16(5-9)8(19)15-7-14-2-4-20-7/h2,4H,1,3,5H2,(H,17,18)(H,14,15,19).
What are the key properties of 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 309.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).