Basic information
- CAS
213985-98-9- Standard SMILES
Cc1csc(NC(=O)Cc2ccc(N)cc2)n1- InChIKey
HCEPPQCQXHYLGM-UHFFFAOYSA-N- Molecular formula
- C12H13N3OS
- Average molar mass
- 247.32 g/mol
- Monoisotopic mass
- 247.07793322
Names & identifiers
- Preferred name
- 2-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Names & synonyms
2-(4-AMINOPHENYL)-N-(4-METHYL-1,3-THIAZOL-2-YL)ACETAMIDE213985-98-9RefChem:456704987-023-8NIA98598AKOS000163166CS-0262333EN300-82149
Database identifiers
- CAS
213985-98-9- PubChem CID
- 20121422
- EC Number
- 987-023-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
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, P317, 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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