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

C11H9N3O4S — CID 3163480

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1nncs1
InChIInChI=1S/C11H9N3O4S/c15-10(13-11-14-12-5-19-11)4-16-7-1-2-8-9(3-7)18-6-17-8/h1-3,5H,4,6H2,(H,13,14,15)
InChIKeyHTYHMPWHWPJFSQ-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.28
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3163480) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3163480
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1nncs1
InChIInChI=1S/C11H9N3O4S/c15-10(13-11-14-12-5-19-11)4-16-7-1-2-8-9(3-7)18-6-17-8/h1-3,5H,4,6H2,(H,13,14,15)
InChIKeyHTYHMPWHWPJFSQ-UHFFFAOYSA-N
XLogP1.28
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493287
2-(1,3-benzodioxol-5-yloxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493290
2-(1,3-benzodioxol-5-yloxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16482396
2-(2-methoxyphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 733455
2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 7477791

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 3163480) is 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1nncs1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HTYHMPWHWPJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-10(13-11-14-12-5-19-11)4-16-7-1-2-8-9(3-7)18-6-17-8/h1-3,5H,4,6H2,(H,13,14,15).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 279.28 g/mol, XLogP of 1.28, 4 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-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3163480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).