2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

C23H21N3O2S — CID 3520104

IUPAC2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1
InChIInChI=1S/C23H21N3O2S/c1-3-28-17-11-9-16(10-12-17)14-21(27)25-19-7-4-6-18(15(19)2)22-26-20-8-5-13-24-23(20)29-22/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyWATYLILPAVZYEG-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.25
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 3520104) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID3520104
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1
InChIInChI=1S/C23H21N3O2S/c1-3-28-17-11-9-16(10-12-17)14-21(27)25-19-7-4-6-18(15(19)2)22-26-20-8-5-13-24-23(20)29-22/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyWATYLILPAVZYEG-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 3520104) is 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is CCOc1ccc(CC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is WATYLILPAVZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-3-28-17-11-9-16(10-12-17)14-21(27)25-19-7-4-6-18(15(19)2)22-26-20-8-5-13-24-23(20)29-22/h4-13H,3,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 3520104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).