N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C10H11F3N2OS — CID 47139405

IUPACN-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCc2sccc2C1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)6-14-9(16)15-3-1-8-7(5-15)2-4-17-8/h2,4H,1,3,5-6H2,(H,14,16)
InChIKeyPBNZGVXFBFQLEF-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.38
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 47139405) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID47139405
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC NameN-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCc2sccc2C1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)6-14-9(16)15-3-1-8-7(5-15)2-4-17-8/h2,4H,1,3,5-6H2,(H,14,16)
InChIKeyPBNZGVXFBFQLEF-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 47139405) is N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCC(F)(F)F)N1CCc2sccc2C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is PBNZGVXFBFQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)6-14-9(16)15-3-1-8-7(5-15)2-4-17-8/h2,4H,1,3,5-6H2,(H,14,16).
What are the key properties of N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 264.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 47139405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).