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

C17H11F5N4O2S — CID 166109384

IUPACN-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C17H11F5N4O2S/c18-9-1-2-11(10(19)6-9)23-16(27)26-4-3-12-8(7-26)5-13(29-12)14-24-15(28-25-14)17(20,21)22/h1-2,5-6H,3-4,7H2,(H,23,27)
InChIKeyXNKMNHHLTHZOMA-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.69
Rot. Bonds2

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

N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 166109384) has the molecular formula C17H11F5N4O2S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID166109384
Molecular FormulaC17H11F5N4O2S
Molecular Weight430.36 g/mol
Exact Mass430.05
IUPAC NameN-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C17H11F5N4O2S/c18-9-1-2-11(10(19)6-9)23-16(27)26-4-3-12-8(7-26)5-13(29-12)14-24-15(28-25-14)17(20,21)22/h1-2,5-6H,3-4,7H2,(H,23,27)
InChIKeyXNKMNHHLTHZOMA-UHFFFAOYSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2,3-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 166109327
N-phenyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 166109485
2-(3-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109292
2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109435
2-(4-chlorophenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 166109544
N-(1,3-thiazol-2-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 166109312
2-(4-methoxyphenyl)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109464
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
N-propyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 166109247
2-(4-chloro-2-methylphenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109373
N-(3,4-dichlorophenyl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 166109556
cyclobutyl-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 166109377

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 166109384) is N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is XNKMNHHLTHZOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4O2S/c18-9-1-2-11(10(19)6-9)23-16(27)26-4-3-12-8(7-26)5-13(29-12)14-24-15(28-25-14)17(20,21)22/h1-2,5-6H,3-4,7H2,(H,23,27).
What are the key properties of N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 166109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).