Basic information
- CAS
876545-22-1- Standard SMILES
Cc1ccsc1C(=O)OCc1cc(=O)n2ccsc2n1- InChIKey
WMUMNRYUQZTUGU-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3S2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.01328453
Names & identifiers
- Preferred name
- (5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylthiophene-2-carboxylate
- IUPAC
- (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylthiophene-2-carboxylate
Names & synonyms
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylthiophene-2-carboxylateMLS002157043CHEMBL1397803DTXSID001322869HMS3063N16AKOS001257033876545-22-1SMR000825307Z19757915(5-Oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylthiophene-2-carboxylate
Database identifiers
- CAS
876545-22-1- PubChem CID
- 2653763
- DTXSID
DTXSID001322869- ChEMBL
CHEMBL1397803
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
Solubility6.3 [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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