benzyl N-(1,3-thiazol-2-yl)carbamate
Basic information
- CAS
353255-50-2- Standard SMILES
O=C(Nc1nccs1)OCc1ccccc1- InChIKey
QKWLYHRESAIPGB-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- benzyl N-(1,3-thiazol-2-yl)carbamate
- IUPAC
- benzyl N-(1,3-thiazol-2-yl)carbamate
- English name
- Carbamic acid, 2-thiazolyl-, phenylmethyl ester (9CI)
- Molecular formula
- C11H10N2O2S
- Molecular weight
- 234.27
Names & synonyms
benzyl N-(1,3-thiazol-2-yl)carbamate353255-50-2benzyl 1,3-thiazol-2-ylcarbamateCarbamic acid, 2-thiazolyl-, phenylmethyl ester (9CI)thiazol-2-yl-carbamic acid benzyl esterMLS001181029SCHEMBL747058SCHEMBL9158159CHEMBL2145109QKWLYHRESAIPGB-UHFFFAOYSA-NDTXSID401331652HMS2804D04
Show more names
benzyl thiazol-2-ylcarbamateCarbamic acid, N-2-thiazolyl-, phenylmethyl ester
SBB098257SMR000476408(phenylmethoxy)-N-(1,3-thiazol-2-yl)carboxamideAI-204/31678023
Database identifiers
- CAS
353255-50-2- PubChem CID
- 5113639
- DTXSID
DTXSID401331652- ChEMBL
CHEMBL2145109- Nikkaji
- J2.350.209G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
Solubility12.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- pka
- 5.04 · 5.04±0.70(Predicted)
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Related reactions
1 records
Compound notes
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