Basic information
- CAS
5986-13-0- Standard SMILES
CC(C)(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1- InChIKey
QYDYHQSXAZXNDE-UHFFFAOYSA-N- Molecular formula
- C10H14N6OS2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.06705144
Names & identifiers
- Preferred name
- n-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1h-1,2,4-triazol-5-ylsulfanyl)acetamide
- IUPAC
- N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Names & synonyms
5986-13-0N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamideCambridge id 5986130CBMicro_032596n-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1h-1,2,4-triazol-5-ylsulfanyl)acetamideOprea1_031997Oprea1_202878Oprea1_613030DTXSID60975260BIM-0032604.P001AB00101755-01AG-690/13704298
Show more names
SR-01000224871SR-01000224871-1N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamideN-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)[(1H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acidN-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-2-[(1H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acid
Database identifiers
- CAS
5986-13-0- PubChem CID
- 877797
- DTXSID
DTXSID60975260
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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