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

C16H15F3N2OS — CID 30260035

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)N1CCc2sccc2C1
InChIInChI=1S/C16H15F3N2OS/c17-16(18,19)13-3-1-2-11(8-13)9-20-15(22)21-6-4-14-12(10-21)5-7-23-14/h1-3,5,7-8H,4,6,9-10H2,(H,20,22)
InChIKeyBVRAYOUFOIZDJB-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.03
Rot. Bonds2

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

N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 30260035) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID30260035
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)N1CCc2sccc2C1
InChIInChI=1S/C16H15F3N2OS/c17-16(18,19)13-3-1-2-11(8-13)9-20-15(22)21-6-4-14-12(10-21)5-7-23-14/h1-3,5,7-8H,4,6,9-10H2,(H,20,22)
InChIKeyBVRAYOUFOIZDJB-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 30260035) is N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)N1CCc2sccc2C1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is BVRAYOUFOIZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c17-16(18,19)13-3-1-2-11(8-13)9-20-15(22)21-6-4-14-12(10-21)5-7-23-14/h1-3,5,7-8H,4,6,9-10H2,(H,20,22).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 30260035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).