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

C13H15N3O3S — CID 729595

IUPAC2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H15N3O3S/c1-3-18-10-6-4-5-7-11(10)19-8-12(17)14-13-16-15-9(2)20-13/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyZIKJURBQRCARHW-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.26
Rot. Bonds6

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

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 729595) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID729595
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H15N3O3S/c1-3-18-10-6-4-5-7-11(10)19-8-12(17)14-13-16-15-9(2)20-13/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyZIKJURBQRCARHW-UHFFFAOYSA-N
XLogP2.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4385887
2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493278
2-(1,3-benzodioxol-5-yloxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493286
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 729595) is 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCOc1ccccc1OCC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZIKJURBQRCARHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-18-10-6-4-5-7-11(10)19-8-12(17)14-13-16-15-9(2)20-13/h4-7H,3,8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 729595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).