Ethyl 5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-methylthiophene-2-carboxylate
Basic information
- CAS
862974-13-8- Standard SMILES
CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)cc1C- InChIKey
VWPXFTDGVDDMAU-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3S2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.06023472
Names & identifiers
- Preferred name
- Ethyl 5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-methylthiophene-2-carboxylate
- IUPAC
- ethyl 5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-methylthiophene-2-carboxylate
Names & synonyms
862974-13-8ethyl 5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-methylthiophene-2-carboxylateEthyl 5-[(4-methoxy-2-benzothiazolyl)amino]-3-methyl-2-thiophenecarboxylateMLS000720257CHEMBL1469857DTXSID101142947HMS2568L11AKOS024590986SMR000236216AB00549249-02SR-01000703244SR-01000703244-2
Show more names
F0646-1190ethyl 5-((4-methoxybenzo[d]thiazol-2-yl)amino)-3-methylthiophene-2-carboxylate
Database identifiers
- CAS
862974-13-8- PubChem CID
- 7109928
- DTXSID
DTXSID101142947- ChEMBL
CHEMBL1469857
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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