Ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
Basic information
- CAS
342394-00-7- Standard SMILES
CCOC(=O)c1cnc(NCc2ccccc2)s1- InChIKey
HRPUUSIPGYVPBZ-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- Ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
- English name
- Ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
342394-00-7ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylateDTXSID40381481ethyl 2-[benzylamino]-1,3-thiazole-5-carboxylateRefChem:342480DTXCID10332506ethyl 2-(benzylamino)thiazole-5-carboxylateMFCD030861995-Thiazolecarboxylicacid, 2-[(phenylmethyl)amino]-, ethyl esterMaybridge3_004275Oprea1_857218HMS1443C07
Show more names
5-Thiazolecarboxylic acid, 2-[(phenylmethyl)amino]-, ethyl ester
SBB053917AKOS023036461AS-9075CCG-251662IDI1_015662CS-0320305ST50949742
Database identifiers
- CAS
342394-00-7- PubChem CID
- 2779643
- DTXSID
DTXSID40381481- Nikkaji
- J1.483.004I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 136 °C · 136 °C
- HS Code
- 2934100090 · 2934100090
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
- hs_code
- 2934100090
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Related reactions
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Compound notes
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