Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
Basic information
- CAS
64387-67-3- Standard SMILES
CC(=O)Nc1nnc(SCc2ccccc2)s1- InChIKey
CXGNGMANBKYIEF-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS2
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.03435433
Names & identifiers
- Preferred name
- Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
- IUPAC
- N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
- English name
- 2-Acetamido-5-benzylthio-1 3 4-
- Molecular formula
- C11H11N3OS2
- Molecular weight
- 265.35
Names & synonyms
64387-67-3Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-2-Acetylamino-5-benzylmercapto-1,3,4-thiadiazoleEINECS 264-860-0N-(5-((Phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)acetamideDTXSID70214596NSC 523937N-[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]acetamideRefChem:315421DTXCID00137087264-860-0N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)acetamide
Show more names
Acetazolamide Impurity 182-Acetamido-5-benzylthio-1 3 4-2-Acetylamino-5-benzylthio-1,3,4-thiadiazoleN-[5-(Benzylthio)-1,3,4-thiadiazole-2-yl]acetamiden-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-acetamid
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamiden-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamideAcetamido-5-benzylthio-1,3,4-thiadiazoleU6Z9UD2LLNMFCD00003106NSC-523937N-[5-(Benzylthio)-1,3,4-thiadiazol-2-yl]acetamideNSC523937
Database identifiers
- CAS
64387-67-3- PubChem CID
- 101472
- DTXSID
DTXSID70214596- ChEMBL
CHEMBL173810- UNII
- U6Z9UD2LLN
- EC Number
- 264-860-0
- Nikkaji
- J267.396G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 167 · 167-169 °C(lit.)
- FDA UNII
- 6 Z9UD2LLN · U6Z9UD2LLN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- RTECS
- 7767335 · AC7767335
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
- rtecs
- AC7767335
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesAcetamido-5-benzylthio-1,3,4-thiadiazole is a compound that displays antitumor activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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