1,3,4-Thiadiazol-2-amine, 5-[[(4-methoxyphenyl)methyl]thio]-
Basic information
- CAS
110076-50-1- Standard SMILES
COc1ccc(CSc2nnc(N)s2)cc1- InChIKey
INEOZHDEAZZDAA-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.03435433
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazol-2-amine, 5-[[(4-methoxyphenyl)methyl]thio]-
- IUPAC
- 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
110076-50-15-((4-Methoxybenzyl)thio)-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazol-2-amine, 5-[[(4-methoxyphenyl)methyl]thio]-Cambridge id 5924899Oprea1_491091CHEMBL174937SCHEMBL6381460DTXSID50350123STL3567035-{[(4-METHOXYPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-AMINEAKOS000112143ST006234
Show more names
AB00100987-015-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
Database identifiers
- CAS
110076-50-1- PubChem CID
- 673902
- DTXSID
DTXSID50350123- ChEMBL
CHEMBL174937- Nikkaji
- J1.524.512C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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