Basic information
- CAS
54167-92-9- Standard SMILES
Cc1nc(-c2ccccc2)c(NC(=O)OCc2ccccc2)s1- InChIKey
WKQJVVLIIDJSCG-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09324893
Names & identifiers
- Preferred name
- Benzyl 2-methyl-4-phenylthiazol-5-ylcarbamate
- IUPAC
- benzyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
- English name
- benzyl 2-methyl-4-phenylthiazol-5-ylcarbamate
- Molecular formula
- C18H16N2O2S
- Molecular weight
- 324.4
Names & synonyms
54167-92-9BENZYL 2-METHYL-4-PHENYLTHIAZOL-5-YLCARBAMATEbenzyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamatebenzyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamateDTXSID60700852DB-071804(2-methyl-4-phenyl-thiazol-5-yl)-carbamic acid benzyl esterCarbamic acid, (2-methyl-4-phenyl-5-thiazolyl)-, phenylmethyl ester (9CI)
Database identifiers
- CAS
54167-92-9- PubChem CID
- 53436033
- DTXSID
DTXSID60700852
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 465.1 · 465.1±40.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 12.4 · 12.40±0.70(Predicted)
Chemistry & industry
Suppliers2 total
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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