Basic information
- CAS
708994-57-4- Standard SMILES
COc1ccc(Nc2nc(-c3ccccn3)cs2)c(OC)c1- InChIKey
RTFHFGKMSQBITM-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.0884979
Names & identifiers
- Preferred name
- N-(2,4-dimethoxyphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amine
- IUPAC
- N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Names & synonyms
708994-57-4N-(2,4-dimethoxyphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amineRefChem:823981837-056-8N-(2,4-dimethoxyphenyl)-4-(2-pyridinyl)-1,3-thiazol-2-amineN-(2,4-Dimethoxyphenyl)-4-(pyridin-2-yl)thiazol-2-amineCHEMBL2441359SCHEMBL16137402TCMDC-143557N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amineEBC-13094STK139383
Show more names
AKOS000563444CCG-120095N-(2,4-dimethoxyphenyl)-4-(2-pyridyl)thiazol-2-amineZ2734699241
Database identifiers
- CAS
708994-57-4- PubChem CID
- 972841
- ChEMBL
CHEMBL2441359- EC Number
- 837-056-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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