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

C20H19N5O3S — CID 1091683

IUPAC2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1
InChIInChI=1S/C20H19N5O3S/c1-12-4-5-14(19-24-25-13(2)22-23-20(25)29-19)10-17(12)21-18(26)11-28-16-8-6-15(27-3)7-9-16/h4-10H,11H2,1-3H3,(H,21,26)
InChIKeyJDIVHPMWNSYHCG-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.50
Rot. Bonds6

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

2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (PubChem CID 1091683) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
PubChem CID1091683
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1
InChIInChI=1S/C20H19N5O3S/c1-12-4-5-14(19-24-25-13(2)22-23-20(25)29-19)10-17(12)21-18(26)11-28-16-8-6-15(27-3)7-9-16/h4-10H,11H2,1-3H3,(H,21,26)
InChIKeyJDIVHPMWNSYHCG-UHFFFAOYSA-N
XLogP3.50
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (CID 1091683) is 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[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-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The InChIKey is JDIVHPMWNSYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-12-4-5-14(19-24-25-13(2)22-23-20(25)29-19)10-17(12)21-18(26)11-28-16-8-6-15(27-3)7-9-16/h4-10H,11H2,1-3H3,(H,21,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is sourced from PubChem (CID 1091683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).