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

C14H10F3N5O2S2 — CID 166109491

IUPACN-(1,3-thiazol-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESO=C(Nc1cscn1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1
InChIInChI=1S/C14H10F3N5O2S2/c15-14(16,17)12-20-11(21-24-12)8-3-7-1-2-22(4-9(7)26-8)13(23)19-10-5-25-6-18-10/h3,5-6H,1-2,4H2,(H,19,23)
InChIKeyWUVKVOHOOGNPKW-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.86
Rot. Bonds2

About N-(1,3-thiazol-4-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-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 166109491) has the molecular formula C14H10F3N5O2S2 and a molecular weight of 401.40 g/mol. Its IUPAC name is N-(1,3-thiazol-4-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-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID166109491
Molecular FormulaC14H10F3N5O2S2
Molecular Weight401.40 g/mol
Exact Mass401.02
IUPAC NameN-(1,3-thiazol-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESO=C(Nc1cscn1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1
InChIInChI=1S/C14H10F3N5O2S2/c15-14(16,17)12-20-11(21-24-12)8-3-7-1-2-22(4-9(7)26-8)13(23)19-10-5-25-6-18-10/h3,5-6H,1-2,4H2,(H,19,23)
InChIKeyWUVKVOHOOGNPKW-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-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-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 166109491) is N-(1,3-thiazol-4-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-4-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-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is O=C(Nc1cscn1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1.
What is the InChIKey of N-(1,3-thiazol-4-yl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is WUVKVOHOOGNPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S2/c15-14(16,17)12-20-11(21-24-12)8-3-7-1-2-22(4-9(7)26-8)13(23)19-10-5-25-6-18-10/h3,5-6H,1-2,4H2,(H,19,23).
What are the key properties of N-(1,3-thiazol-4-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-4-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-4-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 166109491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).