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

C14H10F3N5O2S2 — CID 166109312

IUPACN-(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
SMILESO=C(Nc1nccs1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1
InChIInChI=1S/C14H10F3N5O2S2/c15-14(16,17)11-19-10(21-24-11)8-5-7-1-3-22(6-9(7)26-8)13(23)20-12-18-2-4-25-12/h2,4-5H,1,3,6H2,(H,18,20,23)
InChIKeyOWVQUWVEBLGIQC-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.86
Rot. Bonds2

About 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

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 (PubChem CID 166109312) has the molecular formula C14H10F3N5O2S2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID166109312
Molecular FormulaC14H10F3N5O2S2
Molecular Weight401.40 g/mol
Exact Mass401.02
IUPAC NameN-(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
SMILESO=C(Nc1nccs1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1
InChIInChI=1S/C14H10F3N5O2S2/c15-14(16,17)11-19-10(21-24-11)8-5-7-1-3-22(6-9(7)26-8)13(23)20-12-18-2-4-25-12/h2,4-5H,1,3,6H2,(H,18,20,23)
InChIKeyOWVQUWVEBLGIQC-UHFFFAOYSA-N
XLogP3.86
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 166109247
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-phenyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 166109485
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
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
2-phenyl-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109417
2-(3,5-dichlorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109514
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 166109553
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777425
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-(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
3-[6-(3-methylphenyl)sulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166109388

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1nccs1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1.
What is the InChIKey of 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?
The InChIKey is OWVQUWVEBLGIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S2/c15-14(16,17)11-19-10(21-24-11)8-5-7-1-3-22(6-9(7)26-8)13(23)20-12-18-2-4-25-12/h2,4-5H,1,3,6H2,(H,18,20,23).
What are the key properties of 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?
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 has a molecular weight of 401.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166109312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).