Basic information
- CAS
780821-81-0- Standard SMILES
O=c1sc2ccccc2n1Cc1nnc(-c2ccccc2Cl)o1- InChIKey
CBPXQDJBQOKPHH-UHFFFAOYSA-N- Molecular formula
- C16H10ClN3O2S
- Average molar mass
- 343.8 g/mol
Names & identifiers
- Preferred name
- 3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,3-benzothiazol-2(3H)-one
- IUPAC
- 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzothiazol-2-one
- English name
- 3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,3-benzothiazol-2(3H)-one
- Molecular formula
- C16H10ClN3O2S
- Molecular weight
- 343.79
Names & synonyms
3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,3-benzothiazol-2(3H)-one780821-81-03-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl)benzo[d]thiazol-2(3H)-oneSTK214088AKOS000636616CCG-145329ST50112591SR-01000100977SR-01000100977-1BRD-K39247856-001-01-0Z577060253-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
Show more names
2(3H)-Benzothiazolone, 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-
3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-hydrobenzothiazol-2-one
Database identifiers
- CAS
780821-81-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Boiling point
- 551.1 · 551.1±60.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- -1.8 · -1.80±0.20(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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