2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

C21H16FN3O2S — CID 43955395

IUPAC2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1
InChIInChI=1S/C21H16FN3O2S/c1-13(27-18-10-3-2-8-16(18)22)19(26)24-15-7-4-6-14(12-15)20-25-17-9-5-11-23-21(17)28-20/h2-13H,1H3,(H,24,26)
InChIKeyOJOCLQOLDMACGR-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.90
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 43955395) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
PubChem CID43955395
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1
InChIInChI=1S/C21H16FN3O2S/c1-13(27-18-10-3-2-8-16(18)22)19(26)24-15-7-4-6-14(12-15)20-25-17-9-5-11-23-21(17)28-20/h2-13H,1H3,(H,24,26)
InChIKeyOJOCLQOLDMACGR-UHFFFAOYSA-N
XLogP4.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (CID 43955395) is 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is CC(Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is OJOCLQOLDMACGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-13(27-18-10-3-2-8-16(18)22)19(26)24-15-7-4-6-14(12-15)20-25-17-9-5-11-23-21(17)28-20/h2-13H,1H3,(H,24,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 393.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 43955395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).