N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide

C19H19N3O4S — CID 35573064

IUPACN-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-25-15-6-4-13(5-7-15)18-21-19(27-22-18)20-17(23)12-26-16-10-8-14(24-2)9-11-16/h4-11H,3,12H2,1-2H3,(H,20,21,22,23)
InChIKeyMRAJLXGGCBITJW-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.63
Rot. Bonds8

About N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide

N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 35573064) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID35573064
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-25-15-6-4-13(5-7-15)18-21-19(27-22-18)20-17(23)12-26-16-10-8-14(24-2)9-11-16/h4-11H,3,12H2,1-2H3,(H,20,21,22,23)
InChIKeyMRAJLXGGCBITJW-UHFFFAOYSA-N
XLogP3.63
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 35573056
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
CID 35572487
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 22509515
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074
2-(4-ethoxyphenoxy)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745409
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide (CID 35573064) is N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide is CCOc1ccc(-c2nsc(NC(=O)COc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is MRAJLXGGCBITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-25-15-6-4-13(5-7-15)18-21-19(27-22-18)20-17(23)12-26-16-10-8-14(24-2)9-11-16/h4-11H,3,12H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide?
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 35573064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).