Basic information
- CAS
69123-48-4- Standard SMILES
CCOC(=O)c1ccc(NC(=O)NC2=NCCS2)cc1- InChIKey
MHLLHTZJLCRFCU-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.08341252
Names & identifiers
- Preferred name
- Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate
- IUPAC
- ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate
Names & synonyms
MLS00311563969123-48-4NSC291927CHEMBL1996494DTXSID70315118NSC-291927SMR001831211ETHYL 4-{[(4,5-DIHYDRO-1,3-THIAZOL-2-YL)CARBAMOYL]AMINO}BENZOATE
Database identifiers
- CAS
69123-48-4- PubChem CID
- 324933
- DTXSID
DTXSID70315118- ChEMBL
CHEMBL1996494
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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