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

C22H19N3O2S — CID 121024714

IUPAC2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1
InChIInChI=1S/C22H19N3O2S/c1-14-5-3-6-17(11-14)27-13-20(26)24-19-12-16(9-8-15(19)2)21-25-18-7-4-10-23-22(18)28-21/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyCWFVEPSOAWIRPS-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.99
Rot. Bonds5

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

2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 121024714) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID121024714
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1
InChIInChI=1S/C22H19N3O2S/c1-14-5-3-6-17(11-14)27-13-20(26)24-19-12-16(9-8-15(19)2)21-25-18-7-4-10-23-22(18)28-21/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyCWFVEPSOAWIRPS-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024794
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504
2-(4-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024589
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 121024490
(E)-3-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024683
2-(2-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024575
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024809
3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 3531765
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 121024714) is 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is CWFVEPSOAWIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-5-3-6-17(11-14)27-13-20(26)24-19-12-16(9-8-15(19)2)21-25-18-7-4-10-23-22(18)28-21/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-(3-methylphenoxy)-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 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 121024714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).