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

C13H14N4OS — CID 81148400

IUPACN-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C13H14N4OS/c1-13(2,14-3)12-16-11(17-18-12)8-6-10-9(15-7-8)4-5-19-10/h4-7,14H,1-3H3
InChIKeyINBWRLJNWQPNFE-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.80
Rot. Bonds3

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

N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 81148400) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID81148400
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C13H14N4OS/c1-13(2,14-3)12-16-11(17-18-12)8-6-10-9(15-7-8)4-5-19-10/h4-7,14H,1-3H3
InChIKeyINBWRLJNWQPNFE-UHFFFAOYSA-N
XLogP2.80
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 81148400) is N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CNC(C)(C)c1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is INBWRLJNWQPNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-13(2,14-3)12-16-11(17-18-12)8-6-10-9(15-7-8)4-5-19-10/h4-7,14H,1-3H3.
What are the key properties of N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 274.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 81148400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).