5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
Basic information
- CAS
7159-68-4- Standard SMILES
Cc1nnc(Nc2ccccc2)s1- InChIKey
GMLHQAXHARHDDR-UHFFFAOYSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- 5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-methyl-N-phenyl-1,3,4-thiadiazol-2-amine
Names & synonyms
5-methyl-N-phenyl-1,3,4-thiadiazol-2-amine7159-68-4DTXSID90354069RefChem:304248DTXCID90305132N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylamineCHEMBL2283561SCHEMBL17226232MFCD00598436STL508700AKOS003614810CS-0360830
Show more names
5-methyl-N-phenyl-1,3,4-thiadiazole-2-amineAE-848/01001058AH-034/11365324SR-01000391523SR-01000391523-1
Database identifiers
- CAS
7159-68-4- PubChem CID
- 762828
- DTXSID
DTXSID90354069- ChEMBL
CHEMBL2283561- Nikkaji
- J433.408F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
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Related reactions
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Compound notes
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