2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide

C19H17N5O4S — CID 17163116

IUPAC2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1
InChIInChI=1S/C19H17N5O4S/c1-26-13-4-6-14(7-5-13)28-10-17(25)21-15-9-12(3-8-16(15)27-2)18-23-24-11-20-22-19(24)29-18/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyURHZMIDDIQSKDN-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide

2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (PubChem CID 17163116) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
PubChem CID17163116
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1
InChIInChI=1S/C19H17N5O4S/c1-26-13-4-6-14(7-5-13)28-10-17(25)21-15-9-12(3-8-16(15)27-2)18-23-24-11-20-22-19(24)29-18/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyURHZMIDDIQSKDN-UHFFFAOYSA-N
XLogP2.89
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenoxyacetamide
CID 17163102
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 17163024
2-(2-chlorophenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163122
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenylacetamide
CID 17163051
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pentanamide
CID 17163026
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163126
2-(4-ethylphenoxy)-N-[2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17066399
N-[2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17066400
4-iodo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17162983
2-(4-tert-butylphenoxy)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]acetamide
CID 17176955
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide
CID 17162969

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (CID 17163116) is 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The InChIKey is URHZMIDDIQSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-26-13-4-6-14(7-5-13)28-10-17(25)21-15-9-12(3-8-16(15)27-2)18-23-24-11-20-22-19(24)29-18/h3-9,11H,10H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide has a molecular weight of 411.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is sourced from PubChem (CID 17163116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).