2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide

C12H15F3N2OS — CID 91333687

IUPAC2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCCCN1CCc2cc(NC(=O)C(F)(F)F)sc2C1
InChIInChI=1S/C12H15F3N2OS/c1-2-4-17-5-3-8-6-10(19-9(8)7-17)16-11(18)12(13,14)15/h6H,2-5,7H2,1H3,(H,16,18)
InChIKeyQKRGYANFRSDTIK-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.02
Rot. Bonds3

About 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide

2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (PubChem CID 91333687) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
PubChem CID91333687
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide
SMILESCCCN1CCc2cc(NC(=O)C(F)(F)F)sc2C1
InChIInChI=1S/C12H15F3N2OS/c1-2-4-17-5-3-8-6-10(19-9(8)7-17)16-11(18)12(13,14)15/h6H,2-5,7H2,1H3,(H,16,18)
InChIKeyQKRGYANFRSDTIK-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide (CID 91333687) is 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is CCCN1CCc2cc(NC(=O)C(F)(F)F)sc2C1.
What is the InChIKey of 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
The InChIKey is QKRGYANFRSDTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-2-4-17-5-3-8-6-10(19-9(8)7-17)16-11(18)12(13,14)15/h6H,2-5,7H2,1H3,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide?
2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 91333687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).