2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol

C12H11N3OS2 — CID 118736694

IUPAC2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol
SMILESOCCNc1snc2cc(-c3ccsc3)cnc12
InChIInChI=1S/C12H11N3OS2/c16-3-2-13-12-11-10(15-18-12)5-9(6-14-11)8-1-4-17-7-8/h1,4-7,13,16H,2-3H2
InChIKeyZMJZPQIYRUXZIX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.82
Rot. Bonds4

About 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol

2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol (PubChem CID 118736694) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol
PubChem CID118736694
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol
SMILESOCCNc1snc2cc(-c3ccsc3)cnc12
InChIInChI=1S/C12H11N3OS2/c16-3-2-13-12-11-10(15-18-12)5-9(6-14-11)8-1-4-17-7-8/h1,4-7,13,16H,2-3H2
InChIKeyZMJZPQIYRUXZIX-UHFFFAOYSA-N
XLogP2.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol?
The IUPAC name of 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol (CID 118736694) is 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol?
The canonical SMILES for 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol is OCCNc1snc2cc(-c3ccsc3)cnc12.
What is the InChIKey of 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol?
The InChIKey is ZMJZPQIYRUXZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c16-3-2-13-12-11-10(15-18-12)5-9(6-14-11)8-1-4-17-7-8/h1,4-7,13,16H,2-3H2.
What are the key properties of 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol?
2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol has a molecular weight of 277.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-yl)amino]ethanol is sourced from PubChem (CID 118736694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).