2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

C13H15N3O2S — CID 17014491

IUPAC2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C13H15N3O2S/c1-8-4-9(2)6-11(5-8)18-7-12(17)15-13-14-10(3)16-19-13/h4-6H,7H2,1-3H3,(H,14,15,16,17)
InChIKeyJMMNNDKSFXBRKR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.48
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 17014491) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID17014491
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C13H15N3O2S/c1-8-4-9(2)6-11(5-8)18-7-12(17)15-13-14-10(3)16-19-13/h4-6H,7H2,1-3H3,(H,14,15,16,17)
InChIKeyJMMNNDKSFXBRKR-UHFFFAOYSA-N
XLogP2.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
CID 115661266
2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
CID 19630585
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927
2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3936393
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
CID 107035956
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 22509515
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988945
2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 102656625
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 19227728

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 17014491) is 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2nc(C)ns2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is JMMNNDKSFXBRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-4-9(2)6-11(5-8)18-7-12(17)15-13-14-10(3)16-19-13/h4-6H,7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 17014491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).