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

C23H21N3O3S — CID 43955384

IUPAC2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1
InChIInChI=1S/C23H21N3O3S/c1-3-28-18-9-11-19(12-10-18)29-15(2)21(27)25-17-7-4-6-16(14-17)22-26-20-8-5-13-24-23(20)30-22/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyNYMMDWOKIXPHIJ-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.16
Rot. Bonds7

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

2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 43955384) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
PubChem CID43955384
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1
InChIInChI=1S/C23H21N3O3S/c1-3-28-18-9-11-19(12-10-18)29-15(2)21(27)25-17-7-4-6-16(14-17)22-26-20-8-5-13-24-23(20)30-22/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyNYMMDWOKIXPHIJ-UHFFFAOYSA-N
XLogP5.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024502
(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024696
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515
2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 43955366
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide
CID 131928789
2-(4-ethoxyphenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609741

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (CID 43955384) is 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is CCOc1ccc(OC(C)C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is NYMMDWOKIXPHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-3-28-18-9-11-19(12-10-18)29-15(2)21(27)25-17-7-4-6-16(14-17)22-26-20-8-5-13-24-23(20)30-22/h4-15H,3H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 419.51 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 43955384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).