Basic information
- CAS
167683-11-6- Standard SMILES
O=C(NCCc1ccccc1)Nc1nccs1- InChIKey
UMRYTJAWZACPDH-UHFFFAOYSA-N- Molecular formula
- C12H13N3OS
- Average molar mass
- 247.32 g/mol
- Monoisotopic mass
- 247.07793322
Names & identifiers
- Preferred name
- Urea, N-(2-phenylethyl)-N'-2-thiazolyl-
- IUPAC
- 1-(2-phenylethyl)-3-(1,3-thiazol-2-yl)urea
Names & synonyms
Urea, N-(2-phenylethyl)-N'-2-thiazolyl-167683-11-61-(2-phenylethyl)-3-(1,3-thiazol-2-yl)ureaPETT Urea deriv.CHEMBL359230SCHEMBL7058892DTXSID101683471-Phenethyl-3-thiazol-2-yl-ureaAKOS029860015N-(2-Phenylethyl)-N'-(1,3-thiazol-2-yl)urea
Database identifiers
- CAS
167683-11-6- PubChem CID
- 463247
- DTXSID
DTXSID10168347- ChEMBL
CHEMBL359230
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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