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

C11H9N3O3S2 — CID 2532363

IUPACN-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C11H9N3O3S2/c15-10(4-18-11-14-12-5-19-11)13-7-1-2-8-9(3-7)17-6-16-8/h1-3,5H,4,6H2,(H,13,15)
InChIKeyABJFCSRUGNZDAG-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.00
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532363) has the molecular formula C11H9N3O3S2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532363
Molecular FormulaC11H9N3O3S2
Molecular Weight295.35 g/mol
Exact Mass295.01
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C11H9N3O3S2/c15-10(4-18-11-14-12-5-19-11)13-7-1-2-8-9(3-7)17-6-16-8/h1-3,5H,4,6H2,(H,13,15)
InChIKeyABJFCSRUGNZDAG-UHFFFAOYSA-N
XLogP2.00
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532363) is N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is ABJFCSRUGNZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S2/c15-10(4-18-11-14-12-5-19-11)13-7-1-2-8-9(3-7)17-6-16-8/h1-3,5H,4,6H2,(H,13,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).