1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C13H11F3N2O2S — CID 63709624

IUPAC1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(c2nccc3sccc23)C1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)12(11(19)20)3-5-18(7-12)10-8-2-6-21-9(8)1-4-17-10/h1-2,4,6H,3,5,7H2,(H,19,20)
InChIKeyGRSBYFJXOVPMRB-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.14
Rot. Bonds2

About 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709624) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709624
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(c2nccc3sccc23)C1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)12(11(19)20)3-5-18(7-12)10-8-2-6-21-9(8)1-4-17-10/h1-2,4,6H,3,5,7H2,(H,19,20)
InChIKeyGRSBYFJXOVPMRB-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709624) is 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(c2nccc3sccc23)C1.
What is the InChIKey of 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GRSBYFJXOVPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)12(11(19)20)3-5-18(7-12)10-8-2-6-21-9(8)1-4-17-10/h1-2,4,6H,3,5,7H2,(H,19,20).
What are the key properties of 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 316.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-c]pyridin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).