N-[3-(2-hydroxy-2-phenylethyl)-1,3-thiazol-2-ylidene]acetamide
Basic information
- CAS
5086-69-1- Standard SMILES
CC(=O)N=c1sccn1CC(O)c1ccccc1- InChIKey
VDGPKTALIIGSFN-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- N-[3-(2-hydroxy-2-phenylethyl)-1,3-thiazol-2-ylidene]acetamide
- IUPAC
- N-[3-(2-hydroxy-2-phenylethyl)-1,3-thiazol-2-ylidene]acetamide
Names & synonyms
5086-69-1N-[(2Z)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazol-2(3H)-ylidene]acetamideNSC315203N-[3-(2-hydroxy-2-phenylethyl)-1,3-thiazol-2-ylidene]acetamideChemDiv2_000433Oprea1_517355MLS001197231CHEMBL3190611N-(3-(2-hydroxy-2-phenylethyl)-1,3-thiazol-2(3H)-ylidene)acetamideDTXSID00317387HMS1370D15HMS2871D06
Show more names
AKOS001032467AKOS005145089AKOS034456436NSC-315203SMR000555441EU-0073814AG-205/07852029SR-01000453289
Database identifiers
- CAS
5086-69-1- PubChem CID
- 329943
- DTXSID
DTXSID00317387- ChEMBL
CHEMBL3190611
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Solubility>39.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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