N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C18H13F5N4O2S — CID 166109340

IUPACN-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESO=C(Nc1cccc(C(F)F)c1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1
InChIInChI=1S/C18H13F5N4O2S/c19-14(20)10-2-1-3-11(6-10)24-17(28)27-5-4-9-7-12(30-13(9)8-27)15-25-16(29-26-15)18(21,22)23/h1-3,6-7,14H,4-5,8H2,(H,24,28)
InChIKeyBLWHYIHCXBZPAL-UHFFFAOYSA-N
MW444.39 g/mol
LogP5.34
Rot. Bonds3

About N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 166109340) has the molecular formula C18H13F5N4O2S and a molecular weight of 444.39 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID166109340
Molecular FormulaC18H13F5N4O2S
Molecular Weight444.39 g/mol
Exact Mass444.07
IUPAC NameN-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESO=C(Nc1cccc(C(F)F)c1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1
InChIInChI=1S/C18H13F5N4O2S/c19-14(20)10-2-1-3-11(6-10)24-17(28)27-5-4-9-7-12(30-13(9)8-27)15-25-16(29-26-15)18(21,22)23/h1-3,6-7,14H,4-5,8H2,(H,24,28)
InChIKeyBLWHYIHCXBZPAL-UHFFFAOYSA-N
XLogP5.34
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 166109340) is N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is O=C(Nc1cccc(C(F)F)c1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1.
What is the InChIKey of N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is BLWHYIHCXBZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N4O2S/c19-14(20)10-2-1-3-11(6-10)24-17(28)27-5-4-9-7-12(30-13(9)8-27)15-25-16(29-26-15)18(21,22)23/h1-3,6-7,14H,4-5,8H2,(H,24,28).
What are the key properties of N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 444.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)phenyl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 166109340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).