Ethyl-7-chloroimidazo(2,1-b)benzothiazole-2-carboxylate
Basic information
- CAS
81022-05-1- Standard SMILES
CCOC(=O)c1cn2c(n1)sc1cc(Cl)ccc12- InChIKey
VMTUPCLFULPHMX-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2S
- Average molar mass
- 280.73 g/mol
- Monoisotopic mass
- 280.0073264
Names & identifiers
- Preferred name
- Ethyl-7-chloroimidazo(2,1-b)benzothiazole-2-carboxylate
- IUPAC
- ethyl 6-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
- English name
- 7-CHLOROIMIDAZO[2,1-B]BENZOTHIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C12H9ClN2O2S
- Molecular weight
- 280.73
Names & synonyms
81022-05-17-Chloro-benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid ethyl esterethyl-7-chloroimidazo(2,1-b)benzothiazole-2-carboxylateethyl 6-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylateMFCD11215787ethyl 7-chloroimidazo[2,1-b]-benzthiazole-2-carboxylate7-Chloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl esterNSC703092SCHEMBL2922674CHEMBL2005187VMTUPCLFULPHMX-UHFFFAOYSA-NDTXSID201206459
Show more names
Imidazo[2,1-b]benzothiazole-2-carboxylic acid, 7-chloro-, ethyl ester
ethyl 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylateNSC-703092NCI60_036824DB-220707F475659Ethyl 7-chloroimidazo[2,1-b]benzothiazole-2-carboxylateethyl 7-chloroimidazo[2,1-b]benzthiazole-2-carboxylate
Database identifiers
- CAS
81022-05-1- PubChem CID
- 396584
- DTXSID
DTXSID201206459- ChEMBL
CHEMBL2005187- Nikkaji
- J765.926A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
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Related reactions
5 records
Compound notes
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