Basic information
- CAS
328964-68-7- Standard SMILES
O=C(Nc1nccs1)c1ccc2c(c1)OCO2- InChIKey
VYIAGACEPAYPHN-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3S
- Average molar mass
- 248.26 g/mol
- Monoisotopic mass
- 248.0255633
Names & identifiers
- Preferred name
- N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Names & synonyms
N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide328964-68-7N-(1,3-thiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamideN-(thiazol-2-yl)benzo[d][1,3]dioxole-5-carboxamideCBMicro_006423Cambridge id 5539110Oprea1_037960Oprea1_348057MLS001219905Benzo[1,3]dioxole-5-carboxylic acid thiazol-2-ylamideCHEMBL1374723DTXSID801330387
Show more names
SMSF0006049STK008664AKOS000579129CB08677CCG-110377SMR000607933ST043247BIM-0006607.P001
Database identifiers
- CAS
328964-68-7- PubChem CID
- 669593
- DTXSID
DTXSID801330387- ChEMBL
CHEMBL1374723
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility3 [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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