2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Basic information
- CAS
332114-17-7- Standard SMILES
Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1- InChIKey
FWIYWORLNGZARA-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4OS2
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 299.990631
Names & identifiers
- Preferred name
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
- IUPAC
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
- English name
- 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
- Molecular formula
- C10H9ClN4OS2
- Molecular weight
- 300.79
Names & synonyms
332114-17-72-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamideMFCD016228582-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-chlorophenyl)acetamideacetamide, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-chlorophenyl)-2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-(4-chloro-phenyl)-acetamideC10H9ClN4OS2Oprea1_758748Oprea1_773543CHEMBL1893597DTXSID701161387
Show more names
BAS 01127740ZINC00076399ZERENEX E/5111269acetamide, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-ch
HMS1919J21ALBB-012607CCG-20462STK803030AKOS000112092JS-2002NCGC00142062-01CS-0314898
Database identifiers
- CAS
332114-17-7- PubChem CID
- 698765
- DTXSID
DTXSID701161387- ChEMBL
CHEMBL1893597
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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