5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine

C16H9F3N4O2S — CID 10293026

IUPAC5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1
InChIInChI=1S/C16H9F3N4O2S/c17-16(18,19)8-1-3-9(4-2-8)24-11-6-21-7-13-10(11)5-12(26-13)14-22-23-15(20)25-14/h1-7H,(H2,20,23)
InChIKeyUOESYFSQLQUHCW-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.74
Rot. Bonds3

About 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine

5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 10293026) has the molecular formula C16H9F3N4O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID10293026
Molecular FormulaC16H9F3N4O2S
Molecular Weight378.34 g/mol
Exact Mass378.04
IUPAC Name5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1
InChIInChI=1S/C16H9F3N4O2S/c17-16(18,19)8-1-3-9(4-2-8)24-11-6-21-7-13-10(11)5-12(26-13)14-22-23-15(20)25-14/h1-7H,(H2,20,23)
InChIKeyUOESYFSQLQUHCW-UHFFFAOYSA-N
XLogP4.74
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (CID 10293026) is 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1.
What is the InChIKey of 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UOESYFSQLQUHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O2S/c17-16(18,19)8-1-3-9(4-2-8)24-11-6-21-7-13-10(11)5-12(26-13)14-22-23-15(20)25-14/h1-7H,(H2,20,23).
What are the key properties of 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 378.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 10293026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).