6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
Basic information
- CAS
16763-15-8- Standard SMILES
COc1ccc2nc(NCc3cccnc3)sc2c1- InChIKey
DSICKTQWQGVROG-UHFFFAOYSA-N- Molecular formula
- C14H13N3OS
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.07793322
Names & identifiers
- Preferred name
- 6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
- IUPAC
- 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
- English name
- 6-Methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
- Molecular formula
- C14H13N3OS
- Molecular weight
- 271.34
Names & synonyms
16763-15-86-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamineRefChem:3088216-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amineCHEMBL14115676-methoxy-N-[(pyridin-3-yl)methyl]-1,3-benzothiazol-2-amineF2146-0369N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)amineMLS001178373DTXSID101222668HMS1600C22HMS2826M14
Show more names
ZERENEX E/60277572-Benzothiazolamine, 6-methoxy-N-(3-pyridinylmethyl)-(6-methoxy-benzothiazol-2-yl)-pyridin-3-ylmethyl-amine6-methoxy-N-((pyridin-3-yl)methyl)benzo[d]thiazol-2-amine
SMSSF-0017751BDBM50532088STK832119AKOS003216474SMR000477221EN300-237909AN-465/42886121F495530
Database identifiers
- CAS
16763-15-8- PubChem CID
- 834526
- DTXSID
DTXSID101222668- ChEMBL
CHEMBL1411567
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
Solubility>40.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 465.9 · 465.9±55.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…