2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C15H12N4O4S2 — CID 3566321

IUPAC2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(C2COc3ccccc3O2)o1)Nc1nccs1
InChIInChI=1S/C15H12N4O4S2/c20-12(17-14-16-5-6-24-14)8-25-15-19-18-13(23-15)11-7-21-9-3-1-2-4-10(9)22-11/h1-6,11H,7-8H2,(H,16,17,20)
InChIKeyQDOIRWRKDGMPJR-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.77
Rot. Bonds5

About 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3566321) has the molecular formula C15H12N4O4S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3566321
Molecular FormulaC15H12N4O4S2
Molecular Weight376.42 g/mol
Exact Mass376.03
IUPAC Name2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(C2COc3ccccc3O2)o1)Nc1nccs1
InChIInChI=1S/C15H12N4O4S2/c20-12(17-14-16-5-6-24-14)8-25-15-19-18-13(23-15)11-7-21-9-3-1-2-4-10(9)22-11/h1-6,11H,7-8H2,(H,16,17,20)
InChIKeyQDOIRWRKDGMPJR-UHFFFAOYSA-N
XLogP2.77
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1276990
N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4542974
2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2989515
2-((5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1285138
2-((5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2155840
N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 235332
2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 21383015
N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 4617258
(3S)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724359
(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724360
2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2155891
2-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2155892

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3566321) is 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(C2COc3ccccc3O2)o1)Nc1nccs1.
What is the InChIKey of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QDOIRWRKDGMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2/c20-12(17-14-16-5-6-24-14)8-25-15-19-18-13(23-15)11-7-21-9-3-1-2-4-10(9)22-11/h1-6,11H,7-8H2,(H,16,17,20).
What are the key properties of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3566321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).