2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol

C19H21N3O3S — CID 57448325

IUPAC2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol
SMILESOCCN(CCOc1ccc(Oc2nc3cccnc3s2)cc1)C1CC1
InChIInChI=1S/C19H21N3O3S/c23-12-10-22(14-3-4-14)11-13-24-15-5-7-16(8-6-15)25-19-21-17-2-1-9-20-18(17)26-19/h1-2,5-9,14,23H,3-4,10-13H2
InChIKeyVASSBRDWDMVIDG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.32
Rot. Bonds9

About 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol

2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol (PubChem CID 57448325) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol
PubChem CID57448325
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol
SMILESOCCN(CCOc1ccc(Oc2nc3cccnc3s2)cc1)C1CC1
InChIInChI=1S/C19H21N3O3S/c23-12-10-22(14-3-4-14)11-13-24-15-5-7-16(8-6-15)25-19-21-17-2-1-9-20-18(17)26-19/h1-2,5-9,14,23H,3-4,10-13H2
InChIKeyVASSBRDWDMVIDG-UHFFFAOYSA-N
XLogP3.32
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol 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 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol (CID 57448325) is 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol is OCCN(CCOc1ccc(Oc2nc3cccnc3s2)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol?
The InChIKey is VASSBRDWDMVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-12-10-22(14-3-4-14)11-13-24-15-5-7-16(8-6-15)25-19-21-17-2-1-9-20-18(17)26-19/h1-2,5-9,14,23H,3-4,10-13H2.
What are the key properties of 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol?
2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol has a molecular weight of 371.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]amino]ethanol is sourced from PubChem (CID 57448325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).