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

C22H19N3O2S — CID 3545119

IUPAC2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-5-8-16(21-25-18-4-3-11-23-22(18)28-21)13-19(14)24-20(26)12-15-6-9-17(27-2)10-7-15/h3-11,13H,12H2,1-2H3,(H,24,26)
InChIKeyMXRULFYGAISEFO-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.86
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 3545119) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID3545119
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-5-8-16(21-25-18-4-3-11-23-22(18)28-21)13-19(14)24-20(26)12-15-6-9-17(27-2)10-7-15/h3-11,13H,12H2,1-2H3,(H,24,26)
InChIKeyMXRULFYGAISEFO-UHFFFAOYSA-N
XLogP4.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-([1,3]Thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 44481854
n-(2-Methyl-5-1,3-thiazol-2-yl-phenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 67379418
2-Ethoxy-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 3283143
3,5-Dimethoxy-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 3556612
4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
CID 14938757
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)-9H-xanthene-9-carboxamide
CID 15944887
2,4-dimethoxy-N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide
CID 16017293
N-[1-(4-methoxyphenyl)-1-(4-quinolin-8-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49792639
(2S)-N-(2-methoxy-5-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 70697110
N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide
CID 118714183
6-methoxy-N-[(4-pyridin-4-ylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
CID 155538802
N1-(4-methoxybenzyl)-2-(pyrido[3,2-d][1,3]thiazol-2-ylthio)acetamide
CID 2727534

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 3545119) is 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is MXRULFYGAISEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-5-8-16(21-25-18-4-3-11-23-22(18)28-21)13-19(14)24-20(26)12-15-6-9-17(27-2)10-7-15/h3-11,13H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 3545119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).