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

C13H15N5OS — CID 79815818

IUPAC2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc2[nH]c(-c3csc(CCN)n3)nc2n1
InChIInChI=1S/C13H15N5OS/c1-2-19-10-4-3-8-12(17-10)18-13(16-8)9-7-20-11(15-9)5-6-14/h3-4,7H,2,5-6,14H2,1H3,(H,16,17,18)
InChIKeyGEMIOHXECMYTKD-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.98
Rot. Bonds5

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

2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 79815818) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID79815818
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc2[nH]c(-c3csc(CCN)n3)nc2n1
InChIInChI=1S/C13H15N5OS/c1-2-19-10-4-3-8-12(17-10)18-13(16-8)9-7-20-11(15-9)5-6-14/h3-4,7H,2,5-6,14H2,1H3,(H,16,17,18)
InChIKeyGEMIOHXECMYTKD-UHFFFAOYSA-N
XLogP1.98
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 79815818) is 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine is CCOc1ccc2[nH]c(-c3csc(CCN)n3)nc2n1.
What is the InChIKey of 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is GEMIOHXECMYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-2-19-10-4-3-8-12(17-10)18-13(16-8)9-7-20-11(15-9)5-6-14/h3-4,7H,2,5-6,14H2,1H3,(H,16,17,18).
What are the key properties of 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 289.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 79815818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).