[2-(3,4-Dimethoxy-phenyl)-ethyl]-(4-pyridin-3-yl-thiazol-2-yl)-amine
Basic information
- CAS
315703-29-8- Standard SMILES
COc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1OC- InChIKey
QIVUIUGLQSYZDH-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11979803
Names & identifiers
- Preferred name
- [2-(3,4-Dimethoxy-phenyl)-ethyl]-(4-pyridin-3-yl-thiazol-2-yl)-amine
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
Names & synonyms
MLS000557769[2-(3,4-Dimethoxy-phenyl)-ethyl]-(4-pyridin-3-yl-thiazol-2-yl)-amineSMR000176180N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyridin-3-yl)-1,3-thiazol-2-amineN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-pyridinyl)-2-thiazolamineZINC00088626Oprea1_489368cid_704595CHEMBL1549510BDBM50942DTXSID501176025HMS2361D18
Show more names
STK099536AKOS000565599N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine315703-29-8homoveratryl-[4-(3-pyridyl)thiazol-2-yl]amineAG-690/12243199SR-01000477195SR-01000477195-1
Database identifiers
- CAS
315703-29-8- PubChem CID
- 704595
- DTXSID
DTXSID501176025- ChEMBL
CHEMBL1549510
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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