3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine

C13H18N4OS — CID 79816406

IUPAC3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
SMILESCCOc1ccc2[nH]c(CC3CSCCN3)nc2n1
InChIInChI=1S/C13H18N4OS/c1-2-18-12-4-3-10-13(17-12)16-11(15-10)7-9-8-19-6-5-14-9/h3-4,9,14H,2,5-8H2,1H3,(H,15,16,17)
InChIKeyQHHSNPBHBCJAJH-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.60
Rot. Bonds4

About 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine

3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine (PubChem CID 79816406) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
PubChem CID79816406
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
SMILESCCOc1ccc2[nH]c(CC3CSCCN3)nc2n1
InChIInChI=1S/C13H18N4OS/c1-2-18-12-4-3-10-13(17-12)16-11(15-10)7-9-8-19-6-5-14-9/h3-4,9,14H,2,5-8H2,1H3,(H,15,16,17)
InChIKeyQHHSNPBHBCJAJH-UHFFFAOYSA-N
XLogP1.60
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine (CID 79816406) is 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine is CCOc1ccc2[nH]c(CC3CSCCN3)nc2n1.
What is the InChIKey of 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The InChIKey is QHHSNPBHBCJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-18-12-4-3-10-13(17-12)16-11(15-10)7-9-8-19-6-5-14-9/h3-4,9,14H,2,5-8H2,1H3,(H,15,16,17).
What are the key properties of 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine has a molecular weight of 278.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 79816406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).