Basic information
- CAS
1553451-61-8- Standard SMILES
COC(=O)Cc1csc(NN2CCCCC2)n1- InChIKey
ZDRWFYUVIQBTNS-UHFFFAOYSA-N- Molecular formula
- C11H17N3O2S
- Average molar mass
- 255.34 g/mol
- Monoisotopic mass
- 255.10414797
Names & identifiers
- Preferred name
- Methyl 2-(2-((piperidin-1-yl)amino)-1,3-thiazol-4-yl)acetate
- IUPAC
- methyl 2-[2-(piperidin-1-ylamino)-1,3-thiazol-4-yl]acetate
Names & synonyms
1553451-61-8methyl 2-{2-[(piperidin-1-yl)amino]-1,3-thiazol-4-yl}acetateMethyl 2-(2-((piperidin-1-yl)amino)-1,3-thiazol-4-yl)acetateMETHYL 2-(2-[(PIPERIDIN-1-YL)AMINO]-1,3-THIAZOL-4-YL)ACETATERefChem:813185982-880-4methyl 2-[2-(piperidin-1-ylamino)-1,3-thiazol-4-yl]acetateDMC45161AKOS021344362EN300-257597G56392methyl2-{2-[(piperidin-1-yl)amino]-1,3-thiazol-4-yl}acetate
Database identifiers
- CAS
1553451-61-8- PubChem CID
- 83023969
- EC Number
- 982-880-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
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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