N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine

C20H23N3O2S — CID 133359416

IUPACN-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
SMILESc1ccc(OCCN2CCOCC2)c(CNc2ccnc3ccsc23)c1
InChIInChI=1S/C20H23N3O2S/c1-2-4-19(25-13-10-23-8-11-24-12-9-23)16(3-1)15-22-17-5-7-21-18-6-14-26-20(17)18/h1-7,14H,8-13,15H2,(H,21,22)
InChIKeyUQIOOWIBJLQWOS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.62
Rot. Bonds7

About N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine

N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 133359416) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID133359416
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
SMILESc1ccc(OCCN2CCOCC2)c(CNc2ccnc3ccsc23)c1
InChIInChI=1S/C20H23N3O2S/c1-2-4-19(25-13-10-23-8-11-24-12-9-23)16(3-1)15-22-17-5-7-21-18-6-14-26-20(17)18/h1-7,14H,8-13,15H2,(H,21,22)
InChIKeyUQIOOWIBJLQWOS-UHFFFAOYSA-N
XLogP3.62
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine (CID 133359416) is N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine is c1ccc(OCCN2CCOCC2)c(CNc2ccnc3ccsc23)c1.
What is the InChIKey of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is UQIOOWIBJLQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-4-19(25-13-10-23-8-11-24-12-9-23)16(3-1)15-22-17-5-7-21-18-6-14-26-20(17)18/h1-7,14H,8-13,15H2,(H,21,22).
What are the key properties of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine?
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 369.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 133359416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).