5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine

C14H8ClN5OS — CID 166370899

IUPAC5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
SMILESNc1cnc(-c2nc(-c3cnc4ccsc4c3)no2)c(Cl)c1
InChIInChI=1S/C14H8ClN5OS/c15-9-4-8(16)6-18-12(9)14-19-13(20-21-14)7-3-11-10(17-5-7)1-2-22-11/h1-6H,16H2
InChIKeyBMTNOEVGFKEJDH-UHFFFAOYSA-N
MW329.77 g/mol
LogP3.64
Rot. Bonds2

About 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine

5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine (PubChem CID 166370899) has the molecular formula C14H8ClN5OS and a molecular weight of 329.77 g/mol. Its IUPAC name is 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
PubChem CID166370899
Molecular FormulaC14H8ClN5OS
Molecular Weight329.77 g/mol
Exact Mass329.01
IUPAC Name5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
SMILESNc1cnc(-c2nc(-c3cnc4ccsc4c3)no2)c(Cl)c1
InChIInChI=1S/C14H8ClN5OS/c15-9-4-8(16)6-18-12(9)14-19-13(20-21-14)7-3-11-10(17-5-7)1-2-22-11/h1-6H,16H2
InChIKeyBMTNOEVGFKEJDH-UHFFFAOYSA-N
XLogP3.64
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine (CID 166370899) is 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine is Nc1cnc(-c2nc(-c3cnc4ccsc4c3)no2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The InChIKey is BMTNOEVGFKEJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5OS/c15-9-4-8(16)6-18-12(9)14-19-13(20-21-14)7-3-11-10(17-5-7)1-2-22-11/h1-6H,16H2.
What are the key properties of 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine has a molecular weight of 329.77 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 166370899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).