N-(4-Pyridin-4-YL-1,3-thiazol-2-YL)benzene-1,4-diamine hydrobromide
Basic information
- CAS
1052530-79-6- Standard SMILES
Br.Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1- InChIKey
VMAYVHOFWBMQQR-UHFFFAOYSA-N- Molecular formula
- C14H13BrN4S
- Average molar mass
- 349.25 g/mol
- Monoisotopic mass
- 348.00443
Names & identifiers
- Preferred name
- N-(4-Pyridin-4-YL-1,3-thiazol-2-YL)benzene-1,4-diamine hydrobromide
- IUPAC
- 4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
- English name
- N-(4-Pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine hydrobromide
- Molecular formula
- C14H13BrN4S
- Molecular weight
- 349.25
Names & synonyms
1052530-79-6N-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)BENZENE-1,4-DIAMINE HYDROBROMIDE1,4-Benzenediamine, N1-[4-(4-pyridinyl)-2-thiazolyl]-, hydrobromide (1:1)4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromideMLS000525837CHEMBL1305285AKOS015834074SMR000116311N-(4-Pyridin-4-yl-1,3-thiazol-2-yl)benzene-1N-(4-Pyridin-4-yl-thiazol-2-yl)-benzene-1,4-diamine
Database identifiers
- CAS
1052530-79-6- PubChem CID
- 9549490
- ChEMBL
CHEMBL1305285
Properties
Computed structural properties
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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