2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C13H13N3O4S — CID 6493287

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H13N3O4S/c1-2-12-15-16-13(21-12)14-11(17)6-18-8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3,(H,14,16,17)
InChIKeyQWEMXXNUGZRVIA-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.85
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6493287) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6493287
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H13N3O4S/c1-2-12-15-16-13(21-12)14-11(17)6-18-8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3,(H,14,16,17)
InChIKeyQWEMXXNUGZRVIA-UHFFFAOYSA-N
XLogP1.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
2-(Benzo[1,3]dioxol-5-yloxy)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 6493276
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
2-(1,3-benzodioxol-5-yloxy)-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493289
2-(1,3-benzodioxol-5-yloxy)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 6493292
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3163480
2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493272
2-(1,3-benzodioxol-5-yloxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493283
2-(1,3-benzodioxol-5-yloxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493290
2-(2-Ethoxy-phenoxy)-N-(5-methoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 650458
2-(1,3-benzodioxol-5-yloxy)-N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 6493281

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6493287) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QWEMXXNUGZRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-2-12-15-16-13(21-12)14-11(17)6-18-8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3,(H,14,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 307.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6493287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).