2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid

C16H14F3NO2S — CID 141263888

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1cccc(C(F)(F)F)c1)N1CCc2sccc2C1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)12-3-1-2-10(8-12)14(15(21)22)20-6-4-13-11(9-20)5-7-23-13/h1-3,5,7-8,14H,4,6,9H2,(H,21,22)
InChIKeyMHVVDJQTOKNHGO-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.95
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 141263888) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID141263888
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1cccc(C(F)(F)F)c1)N1CCc2sccc2C1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)12-3-1-2-10(8-12)14(15(21)22)20-6-4-13-11(9-20)5-7-23-13/h1-3,5,7-8,14H,4,6,9H2,(H,21,22)
InChIKeyMHVVDJQTOKNHGO-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 141263888) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(c1cccc(C(F)(F)F)c1)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is MHVVDJQTOKNHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c17-16(18,19)12-3-1-2-10(8-12)14(15(21)22)20-6-4-13-11(9-20)5-7-23-13/h1-3,5,7-8,14H,4,6,9H2,(H,21,22).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 341.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 141263888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).