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

C21H17N3O2S — CID 143409048

IUPAC2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccncc4s3)c2)c1
InChIInChI=1S/C21H17N3O2S/c1-14-4-2-7-17(10-14)26-13-20(25)23-16-6-3-5-15(11-16)21-24-18-8-9-22-12-19(18)27-21/h2-12H,13H2,1H3,(H,23,25)
InChIKeyRBDBTASIDBTPOH-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.68
Rot. Bonds5

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

2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide (PubChem CID 143409048) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
PubChem CID143409048
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccncc4s3)c2)c1
InChIInChI=1S/C21H17N3O2S/c1-14-4-2-7-17(10-14)26-13-20(25)23-16-6-3-5-15(11-16)21-24-18-8-9-22-12-19(18)27-21/h2-12H,13H2,1H3,(H,23,25)
InChIKeyRBDBTASIDBTPOH-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-methylphenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3531685
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134039425
2-(3-acetamidophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18870050
2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 45032538

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide (CID 143409048) is 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccncc4s3)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide?
The InChIKey is RBDBTASIDBTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-4-2-7-17(10-14)26-13-20(25)23-16-6-3-5-15(11-16)21-24-18-8-9-22-12-19(18)27-21/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide has a molecular weight of 375.45 g/mol, XLogP of 4.68, 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-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 143409048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).