Basic information
- Standard SMILES
C=CCNc1nc(C(=O)OCC)cs1- InChIKey
PFGIVCNFWXBOPM-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S
- Average molar mass
- 212.27 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
Names & synonyms
5924-08-3ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylateEthyl 2-(Allylamino)thiazole-4-carboxylateethyl 2-(prop-2-en-1-ylamino)-1,3-thiazole-4-carboxylateethyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylateEthyl 4-(prop-2-enylamino)-3,5-thiazolecarboxylateCHEMBL3593863SCHEMBL10465572PFGIVCNFWXBOPM-UHFFFAOYSA-NAKOS022169279Ethyl 2-allylaminothiazole-4-carboxylateDA-28563
Show more names
FE169435MS-11174Ethyl2-(Allylamino)thiazole-4-carboxylateCS-0251431ST51035585EN300-54734Z48852728
Database identifiers
- PubChem CID
- 7171906
- ChEMBL
CHEMBL3593863- Nikkaji
- J3.448.075C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
3 records
Linked notes
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