Basic information
- CAS
91813-67-1- Standard SMILES
Cc1nnc(NCC=Cc2ccccc2)s1- InChIKey
IATLEMYQOTVULJ-UHFFFAOYSA-N- Molecular formula
- C12H13N3S
- Average molar mass
- 231.32 g/mol
- Monoisotopic mass
- 231.0830186
Names & identifiers
- Preferred name
- 5-Methyl-N-(3-phenyl-2-propen-1-yl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-methyl-N-(3-phenylprop-2-enyl)-1,3,4-thiadiazol-2-amine
Names & synonyms
MLS003373915CHEMBL3182342DTXSID4011857565-Methyl-N-(3-phenyl-2-propen-1-yl)-1,3,4-thiadiazol-2-amine91813-67-1SMR0020487075-methyl-N-(3-phenylprop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
91813-67-1- PubChem CID
- 355464
- DTXSID
DTXSID401185756- ChEMBL
CHEMBL3182342
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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